490	490	861	0:SP3_SP3_SP3	C	C	Se	4:4:1:1:	4:4:1:1:	3:4:1:1:	Se-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(SeC[6a]OO)(CC[5]HH)(H)2	C(C[5]C[5,6a]C[5]C)(CSeHH)(H)2	Se(C[6a]C[6a]2)(CCHH)(O)2	C(SeC[6a]OO)(CC[5]HH)(H)2	C(C[5]C[5,6a]C[5]C)(CSeHH)(H)2	Se(C[6a]C[6a]2)(CCHH)(O)2	108.1338	1.413	8	108.1338	1.997	8	108.1338	1.997	8	108.1338	1.997	8	108.1338	1.997	8	108.1338	1.997	8
490	490	863	0:SP3_SP2_SP3	C	C	O	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:C[6a]-3:C-4:O-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[6a]C[6a]2)2(CF3)(O)	C(CC[6a]2O)(F)3	O(CC[6a]2C)	C(C[6a]C[6a]2)2(CF3)(O)	C(CC[6a]2O)(F)3	O(CC[6a]2C)	106.9410	0.000	1	106.9410	0.000	1	106.9410	0.000	1	106.9410	0.000	1	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	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)	O(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HN)(H)(O)	C(C[6a]C[6a]2)(CC[6a]HO)(NH3)(H)	O(CC[6a]CH)	109.4102	1.439	6	109.4102	2.071	6	109.4102	2.071	6	109.4102	2.071	6	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	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	O(CC[6]CH)	C(C[6]C[6]2)(CH3)(H)(O)	C(CC[6]HO)(H)3	O(CC[6]CH)	107.8330	0.000	1	107.8330	0.000	1	107.8330	0.000	1	112.1790	38.779	5	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	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	O(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)(O)	C(CC[6a]HO)(H)3	O(CC[6a]CH)	113.2655	6.621	4	113.2655	43.836	4	113.2655	43.836	4	112.1790	38.779	5	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	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	O(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)(O)	C(CC[6a]HO)(NOO)(H)2	O(CC[6a]CH)	105.9880	0.781	2	105.9880	0.609	2	105.9880	0.609	2	105.9880	0.609	2	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	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	O(CC[6a]CH)	C(C[6a]C[6a]2)(CCl2C)(H)(O)	C(CC[6a]HO)2(Cl)2	O(CC[6a]CH)	107.4140	0.000	1	107.4140	0.000	1	107.4140	0.000	1	108.2402	0.389	5	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	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	O(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)(O)	C(CC[6a]HO)(CCFH)(H)2	O(CC[6a]CH)	108.4653	0.591	3	108.4653	0.350	3	108.4468	0.235	4	108.2402	0.389	5	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	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	O(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)(O)	C(CC[6a]HO)(CCHH)(H)2	O(CC[6a]CH)	108.3910	0.000	1	108.3910	0.000	1	108.4468	0.235	4	108.2402	0.389	5	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	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)	O(CC[6]CH)	C(C[6]C[6]2)(CC3)(H)(O)	C(CC[6]HO)(CCHH)2(CCS)	O(CC[6]CH)	107.4180	0.000	2	107.4180	0.000	2	107.4180	0.000	2	107.4180	0.000	2	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-2:O-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CC)(O)	C(CC[6a]CO)(CH3)(H)2	O(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CC)(O)	C(CC[6a]CO)(CH3)(H)2	O(CC[6a]CC)	107.3965	0.391	2	107.3965	0.153	2	107.3965	0.153	2	107.3965	0.153	2	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-4:O-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[6a]C[6a]2)(CF3)2(O)	C(CC[6a]CO)(F)3	O(CC[6a]CC)	C(C[6a]C[6a]2)(CF3)2(O)	C(CC[6a]CO)(F)3	O(CC[6a]CC)	108.1061	1.284	14	108.1061	1.650	14	108.1061	1.650	14	108.1061	1.650	14	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	3:4:4:1:	4:2:1:1:	4:	C[6a]-3:C-4:C-4:O-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CHHO)(O)	C(CC[6a]CO)(OS)(H)2	O(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CHHO)(O)	C(CC[6a]CO)(OS)(H)2	O(CC[6a]CC)	105.3610	0.000	1	105.3610	0.000	1	105.3610	0.000	1	105.3610	0.000	1	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:O-1:	C-4:C-4:F-1:F-1:	C-4:	C(C[6a]C[5,6a]C[6a])(CCFF)2(O)	C(CC[6a]CO)(CF3)(F)2	O(CC[6a]CC)	C(C[6a]C[5,6a]C[6a])(CCFF)2(O)	C(CC[6a]CO)(CF3)(F)2	O(CC[6a]CC)	108.8758	0.252	6	108.8758	0.064	6	108.8758	0.064	6	108.8758	0.064	6	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	3:4:4:1:	4:4:4:1:	4:	C[6a]-3:C-4:C-4:O-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CHHO)(O)	C(CC[6a]CO)(CCHH)(CH3)(H)	O(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CHHO)(O)	C(CC[6a]CO)(CCHH)(CH3)(H)	O(CC[6a]CC)	111.0110	0.000	1	111.0110	0.000	1	111.0110	0.000	1	111.0110	0.000	1	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	3:4:4:1:	4:4:4:4:	4:	C[6a]-3:C-4:C-4:O-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CC3)2(O)	C(CC[6a]CO)(CH3)3	O(CC[6a]CC)	C(C[6a]C[6a]2)(CC3)2(O)	C(CC[6a]CO)(CH3)3	O(CC[6a]CC)	107.7588	1.017	12	107.7588	1.034	12	107.7588	1.034	12	107.7588	1.034	12	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	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	O(CCHH)	C(CHHN)(H)2(O)	C(NC[6a])(CHHO)(H)2	O(CCHH)	111.9870	0.000	1	111.9870	0.000	1	111.9870	0.000	1	108.2665	27.684	2	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	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	O(CCHH)	C(CHHO)(H)2(O)	C(OC[6])(CHHO)(H)2	O(CCHH)	104.5460	0.000	1	104.5460	0.000	1	104.5460	0.000	1	108.2665	27.684	2	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	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)	O(CCHH)	C(CN[5]3)(H)2(O)	C(N[5]C[5]N[5])3(CHHO)	O(CCHH)	108.4980	0.000	1	108.4980	0.000	1	108.4980	0.000	1	108.4980	0.000	1	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	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	O(CCHH)	C(CC[5]HH)(H)2(O)	C(C[5]C[5]S[5])(CHHO)(H)2	O(CCHH)	111.0920	0.000	1	111.0920	0.000	1	111.0920	0.000	1	111.4820	1.651	8	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	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	O(CCHH)	C(CC[6a]HH)(H)2(O)	C(C[6a]C[6a]N[6a])(CHHO)(H)2	O(CCHH)	111.5347	1.509	6	111.5347	2.276	6	111.5347	2.276	6	111.4820	1.651	8	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	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	O(CCHH)	C(CHHN)(H)2(O)	C(NC[6a]H)(CHHO)(H)2	O(CCHH)	111.5560	0.000	1	111.5560	0.000	1	111.5560	0.000	1	111.4820	1.651	8	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	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)	O(CCHH)	C(CN[5]CH)(H)2(O)	C(N[5]C[5]2)(CC[6a]HH)(CHHO)(H)	O(CCHH)	112.5730	0.000	1	112.5730	0.000	1	112.5730	0.000	1	112.5730	0.000	1	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	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	O(CCHH)	C(CF3)(H)2(O)	C(CHHO)(F)3	O(CCHH)	114.2880	2.742	2	114.2880	7.519	2	114.2880	7.519	2	113.2126	56.291	62	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	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	O(CCHH)	C(CH3)(H)2(O)	C(CHHO)(H)3	O(CCHH)	113.1840	7.683	59	113.1840	59.029	59	113.1840	59.029	59	113.2126	56.291	62	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	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)	O(CCHH)	C(CHHO)(H)2(O)	C(CHHO)(H)2(O)	O(CCHH)	112.7500	0.000	1	112.7500	0.000	1	112.7500	0.000	1	113.2126	56.291	62	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	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	O(CCHH)	C(CHHO)(H)2(O)	C(CHHO)(OC)(H)2	O(CCHH)	90.9059	17.876	2	90.9059	319.547	2	101.9032	268.700	4	101.9032	268.700	4	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	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	O(CCHH)	C(CHHO)(H)2(O)	C(CHHO)(OPt)(H)2	O(CCHH)	112.9005	1.669	2	112.9005	2.787	2	101.9032	268.700	4	101.9032	268.700	4	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	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	O(CCHH)	C(CHHN)(H)2(O)	C(CHHO)(NCC)(H)2	O(CCHH)	105.9100	0.000	1	105.9100	0.000	1	106.8825	1.892	2	106.8825	1.892	2	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	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	O(CCHH)	C(CHHN)(H)2(O)	C(CHHO)(NCH)(H)2	O(CCHH)	107.8550	0.000	1	107.8550	0.000	1	106.8825	1.892	2	106.8825	1.892	2	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	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	O(CCHH)	C(CCHH)(H)2(O)	C(CCHH)(CHHO)(H)2	O(CCHH)	108.3172	11.858	17	108.3172	140.606	17	108.5011	147.473	22	108.5834	135.158	24	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	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	O(CCHH)	C(CCHH)(H)2(O)	C(CC[5]HH)(CHHO)(H)2	O(CCHH)	109.3690	0.000	1	109.3690	0.000	1	108.5011	147.473	22	108.5834	135.158	24	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	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	O(CCHH)	C(CCHH)(H)2(O)	C(CHHN)(CHHO)(H)2	O(CCHH)	113.8350	0.000	1	113.8350	0.000	1	108.5011	147.473	22	108.5834	135.158	24	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	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	O(CCHH)	C(CCHH)(H)2(O)	C(CHHO)(CH3)(H)2	O(CCHH)	107.4762	20.178	3	107.4762	407.150	3	108.5011	147.473	22	108.5834	135.158	24	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	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	O(CCHH)	C(CHHN)(H)2(O)	C(CHHO)(NCCH)(H)2	O(CCHH)	109.4880	3.148	2	109.4880	9.910	2	109.4880	9.910	2	108.5834	135.158	24	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	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)	O(CCHH)	C(CCHN)(H)2(O)	C(CHHO)(CH3)(NC)(H)	O(CCHH)	113.0500	0.000	1	113.0500	0.000	1	113.0500	0.000	1	111.1873	3.325	3	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	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)	O(CCHH)	C(CCHO)(H)2(O)	C(CHHO)2(OC)(H)	O(CCHH)	109.4060	0.000	1	109.4060	0.000	1	110.2560	1.445	2	111.1873	3.325	3	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	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)	O(CCHH)	C(CCHO)(H)2(O)	C(CHHO)2(OH)(H)	O(CCHH)	111.1060	0.000	1	111.1060	0.000	1	110.2560	1.445	2	111.1873	3.325	3	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	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)	O(CCHH)	C(CCCH)(H)2(O)	C(CCCH)(CCHH)(CHHO)(H)	O(CCHH)	111.0073	1.327	3	111.0073	1.761	3	111.0073	1.761	3	111.0073	1.761	3	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	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	O(CCCH)	C(CHHO)(CO)(H)(O)	C(OC[6a])(CCHO)(H)2	O(CCCH)	111.7290	0.000	1	111.7290	0.000	1	111.7290	0.000	1	111.7290	0.000	1	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	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	O(CCHO)	C(CN[5a]HH)(OH)(H)(O)	C(N[5a]C[5a,6a]2)(CHOO)(H)2	O(CCHO)	133.4820	0.000	1	133.4820	0.000	1	133.4820	0.000	1	133.4820	0.000	1	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	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)	O(CCHO)	C(CCHN)(OH)(H)(O)	C(CCHH)(CHOO)(NH3)(H)	O(CCHO)	118.3148	4.436	4	118.3148	19.680	4	118.3148	19.680	4	118.3148	19.680	4	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	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)	O(CCHN)	C(CCCN)(NH)(H)(O)	C(CHNO)(CH3)2(NCH)	O(CCHN)	122.7900	0.000	1	122.7900	0.000	1	122.7900	0.000	1	122.7900	0.000	1	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	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)	O(CCCH)	C(CC[6a]HN)(CC[6a]O)(H)(O)	C(C[6a]C[6a]2)(CCHO)(NC)(H)	O(CCCH)	108.4320	0.000	1	108.4320	0.000	1	110.7213	3.968	3	110.7213	3.968	3	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	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)	O(CCCH)	C(CC[6a]HN)(CC[6a]O)(H)(O)	C(C[6a]C[6a]2)(CCHO)(NP)(H)	O(CCCH)	111.8660	0.273	2	111.8660	0.074	2	110.7213	3.968	3	110.7213	3.968	3	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	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)	O(CCCH)	C(CCCH)(CCC)(H)(O)	C(CN[5]O)(CCHO)(CH3)(H)	O(CCCH)	108.7040	0.000	1	108.7040	0.000	1	108.7040	0.000	1	109.6025	1.615	2	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	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)	O(CCCH)	C(CC[6a]CH)(CC[6a]O)(H)(O)	C(C[6a]C[6a]2)(CCHH)(CCHO)(H)	O(CCCH)	110.5010	0.000	1	110.5010	0.000	1	110.5010	0.000	1	109.6025	1.615	2	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	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)	O(CCCH)	C(CCHO)(COO)(H)(O)	C(CCHO)(COO)(H)(O)	O(CCCH)	110.7554	0.546	7	110.7554	0.298	7	110.7554	0.298	7	110.7554	0.298	7	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	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)	O(CCCH)	C(CCHO)(COO)(H)(O)	C(CCHO)(COO)(OH)(H)	O(CCCH)	110.3990	0.567	3	110.3990	0.321	3	110.3990	0.321	3	110.3990	0.321	3	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	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	O(CCCH)	C(CCHH)(CCH)(H)(O)	C(CCHH)(CCHO)(H)2	O(CCCH)	107.4740	0.000	1	107.4740	0.000	1	107.4740	0.000	1	107.4740	0.000	1	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	4:3:4:1:	3:4:2:1:	4:	C[6]-4:C[6]-3:C-4:O-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6]C[6]2H)(C[6]C[6]2)(CC[6a]HO)(O)	C(C[6a]C[6a]2)(CC[6]2O)(OC)(H)	O(CC[6]2C)	C(C[6]C[6]2H)(C[6]C[6]2)(CC[6a]HO)(O)	C(C[6a]C[6a]2)(CC[6]2O)(OC)(H)	O(CC[6]2C)	107.9740	0.000	1	107.9740	0.000	1	107.9740	0.000	1	107.9740	0.000	1	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[6a]-3:C-4:O-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]C[5]O)(H)3	O(CC[6a]C[5]C)	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(CH3)(O)	C(CC[6a]C[5]O)(H)3	O(CC[6a]C[5]C)	109.6050	0.000	1	109.6050	0.000	1	109.6050	0.000	1	109.6050	0.000	1	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	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	O(CCCH)	C(CHHO)2(H)(O)	C(OC[6])(CCHO)(H)2	O(CCCH)	112.9940	0.000	1	112.9940	0.000	1	108.9582	5.093	6	108.9582	5.093	6	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	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	O(CCCH)	C(CHHO)2(H)(O)	C(OC[6a])(CCHO)(H)2	O(CCCH)	108.1510	1.217	5	108.1510	1.480	5	108.9582	5.093	6	108.9582	5.093	6	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	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	O(CCCH)	C(CN[5]HH)(CCCH)(H)(O)	C(N[5]C[5]2)(CCHO)(H)2	O(CCCH)	108.6905	0.390	2	108.6905	0.152	2	108.6905	0.152	2	107.9420	1.757	3	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	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	O(CC[5]CH)	C(C[5]C[5]2Fe)(CC[6a]HH)(H)(O)	C(C[6a]C[6a]2)(CC[5]HO)(H)2	O(CC[5]CH)	106.4450	0.000	1	106.4450	0.000	1	106.4450	0.000	1	107.9420	1.757	3	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	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	O(CCCH)	C(CF3)2(H)(O)	C(CCHO)(F)3	O(CCCH)	109.6974	0.765	8	109.6974	0.586	8	109.6974	0.586	8	111.0860	36.268	26	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	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	O(CCCH)	C(CCHN)(CH3)(H)(O)	C(CCHO)(H)3	O(CCCH)	110.9140	0.000	1	110.9140	0.000	1	111.9388	57.557	16	111.0860	36.268	26	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	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	O(CCCH)	C(CH3)2(H)(O)	C(CCHO)(H)3	O(CCCH)	112.0071	7.848	15	112.0071	61.588	15	111.9388	57.557	16	111.0860	36.268	26	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	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	O(CC[4]CH)	C(C[4]C[4,5]C[4]H)(CH3)(H)(O)	C(CC[4]HO)(H)3	O(CC[4]CH)	111.9350	0.000	1	111.9350	0.000	1	111.9350	0.000	1	111.0860	36.268	26	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	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	O(CC[6]CH)	C(C[6]C[6]2Cr)(CH3)(H)(O)	C(CC[6]HO)(H)3	O(CC[6]CH)	107.7020	0.000	1	107.7020	0.000	1	107.7020	0.000	1	111.0860	36.268	26	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	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	O(CCCH)	C(CHHO)2(H)(O)	C(CCHO)(OC)(H)2	O(CCCH)	108.6900	3.415	2	108.6900	11.664	2	108.6900	11.664	2	108.6900	11.664	2	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	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)	O(CC[5]CH)	C(C[5]C[5]O[5]H)(CBrCF)(H)(O)	C(CC[5]HO)(COO)(Br)(F)	O(CC[5]CH)	111.1550	0.000	1	111.1550	0.000	1	111.1550	0.000	1	111.1550	0.000	1	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	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)	O(CCCH)	C(CCHN)(CH3)(H)(O)	C(CCHO)(CNO)(NCH)(H)	O(CCCH)	111.0370	0.000	1	111.0370	0.000	1	111.0370	0.000	1	111.0370	0.000	1	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	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	O(CCCH)	C(CHHN)2(H)(O)	C(NCuCH)(CCHO)(H)2	O(CCCH)	109.3920	2.185	2	109.3920	4.774	2	109.3920	4.774	2	110.1606	1.907	5	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	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	O(CC[5]CH)	C(C[5]C[5]O[5]H)(CCHH)(H)(O)	C(CC[5]HO)(CBrCH)(H)2	O(CC[5]CH)	110.1170	0.000	1	110.1170	0.000	1	110.1170	0.000	1	110.1606	1.907	5	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	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)	O(CC[5]CH)	C(C[5]C[5]2Fe)(CC[5]HO)(H)(O)	C(C[5]C[5]2Fe)(CC[5]HO)(H)(O)	O(CC[5]CH)	110.9510	0.649	2	110.9510	0.421	2	110.9510	0.421	2	110.1606	1.907	5	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	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)	O(CCCH)	C(CN[5]HH)(CCCH)(H)(O)	C(CCHO)(CH3)(CCO)(H)	O(CCCH)	111.5075	3.422	2	111.5075	11.708	2	111.5075	11.708	2	111.5075	11.708	2	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	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)	O(CCCH)	C(CC[6]CH)(CCCH)(H)(O)	C(CCHO)2(CH3)(H)	O(CCCH)	109.9760	0.000	1	109.9760	0.000	1	109.9760	0.000	1	110.1994	7.455	5	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	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)	O(CCCH)	C(CC[6]CH)(CCCH)(H)(O)	C(C[6]S[6]2H)(CCHO)(CH3)(H)	O(CCCH)	106.2490	0.000	1	106.2490	0.000	1	106.2490	0.000	1	110.1994	7.455	5	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	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)	O(CC[6]CH)	C(C[6]C[6]N[6]H)(CCCH)(H)(O)	C(CC[6]HO)(CH3)2(H)	O(CC[6]CH)	111.5907	2.044	3	111.5907	4.179	3	111.5907	4.179	3	110.1994	7.455	5	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:C-2:O-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(CC)(O)	C(CCCO)(H)3	O(CC3)	C(CH3)2(CC)(O)	C(CCCO)(H)3	O(CC3)	107.1947	2.769	4	107.1947	7.667	4	107.1947	7.667	4	108.2567	7.848	6	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:O-1:	C-4:F-1:F-1:F-1:	C-4:	C(CF3)2(OH)(O)	C(CCOO)(F)3	O(CCCO)	C(CF3)2(OH)(O)	C(CCOO)(F)3	O(CCCO)	110.3805	1.645	2	110.3805	2.707	2	110.3805	2.707	2	108.2567	7.848	6	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:O-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHH)(CH3)(CCH)(O)	C(CCCO)(H)3	O(CC3)	C(CCHH)(CH3)(CCH)(O)	C(CCCO)(H)3	O(CC3)	109.3250	0.000	1	109.3250	0.000	1	109.3250	0.000	1	109.3250	0.000	1	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	4:4:3:1:	4:3:1:1:	4:	C-4:Si-4:C-3:O-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(SiC3)(COO)(O)	C(CSiCO)(CCH)(H)2	O(CSiCC)	C(CCHH)(SiC3)(COO)(O)	C(CSiCO)(CCH)(H)2	O(CSiCC)	108.7380	0.000	1	108.7380	0.000	1	108.7380	0.000	1	108.7380	0.000	1	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:O-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(CCH)(O)	C(CC[6]HH)(CCCO)(H)2	O(CC3)	C(CCHH)(CH3)(CCH)(O)	C(CC[6]HH)(CCCO)(H)2	O(CC3)	106.7170	0.000	1	106.7170	0.000	1	106.7170	0.000	1	106.7170	0.000	1	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:O-1:	C-4:F-1:F-1:F-1:	C-4:	C(CHHP)(CF3)2(O)	C(CCCO)(F)3	O(CC3)	C(CHHP)(CF3)2(O)	C(CCCO)(F)3	O(CC3)	110.4905	0.216	2	110.4905	0.047	2	110.4905	0.047	2	108.8671	6.754	42	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:O-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCCH)(CH3)2(O)	C(CCCO)(H)3	O(CC3)	C(CCCH)(CH3)2(O)	C(CCCO)(H)3	O(CC3)	108.4635	11.288	2	108.4635	127.409	2	108.8134	7.401	37	108.8671	6.754	42	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:O-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCCO)(CH3)2(O)	C(CCCO)(H)3	O(CC3)	C(CCCO)(CH3)2(O)	C(CCCO)(H)3	O(CC3)	108.2714	1.044	27	108.2714	1.089	27	108.8134	7.401	37	108.8671	6.754	42	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:O-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHH)(CH3)2(O)	C(CCCO)(H)3	O(CC3)	C(CCHH)(CH3)2(O)	C(CCCO)(H)3	O(CC3)	108.1060	3.642	2	108.1060	13.261	2	108.8134	7.401	37	108.8671	6.754	42	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:O-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)3(O)	C(CCCO)(H)3	O(CC3)	C(CH3)3(O)	C(CCCO)(H)3	O(CC3)	111.6045	2.882	6	111.6045	8.304	6	108.8134	7.401	37	108.8671	6.754	42	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	4:4:4:1:	4:1:1:1:	4:	C-4:P-4:P-4:O-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(PO3)2(O)	C(COPP)(H)3	O(CCPP)	C(CH3)(PO3)2(O)	C(COPP)(H)3	O(CCPP)	109.3270	0.000	1	109.3270	0.000	1	109.3270	0.000	1	108.8671	6.754	42	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:O-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CH3)2(O)	C(CC[5]CO)(H)3	O(CC[5]CC)	C(C[5]C[5]O[5]H)(CH3)2(O)	C(CC[5]CO)(H)3	O(CC[5]CC)	108.0070	1.838	2	108.0070	3.380	2	108.0070	3.380	2	108.8671	6.754	42	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:O-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)2(O)	C(CCCO)(CH3)(H)2	O(CC3)	C(CCHH)(CH3)2(O)	C(CCCO)(CH3)(H)2	O(CC3)	107.4200	0.000	1	107.4200	0.000	1	107.4200	0.000	1	110.5690	11.846	4	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:O-1:	C-4:P-4:H-1:H-1:	C-4:	C(CHHP)(CF3)2(O)	C(CCCO)(PC3)(H)2	O(CC3)	C(CHHP)(CF3)2(O)	C(CCCO)(PC3)(H)2	O(CC3)	115.1750	0.000	1	115.1750	0.000	1	115.1750	0.000	1	110.5690	11.846	4	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:O-1:	C-4:C-4:F-1:F-1:	C-4:	C(C[5]C[5]O[5]H)(CCFF)2(O)	C(CC[5]CO)(CF3)(F)2	O(CC[5]CC)	C(C[5]C[5]O[5]H)(CCFF)2(O)	C(CC[5]CO)(CF3)(F)2	O(CC[5]CC)	109.8405	1.829	2	109.8405	3.346	2	109.8405	3.346	2	110.5690	11.846	4	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:O-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)2(O)	C(CCCO)(CH3)2(H)	O(CC3)	C(CCCH)(CH3)2(O)	C(CCCO)(CH3)2(H)	O(CC3)	106.7360	0.000	1	106.7360	0.000	1	106.7360	0.000	1	104.9465	1.677	11	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:O-1:	C-4:C-4:C-4:O-1:	C-4:	C(CCCO)(CH3)2(O)	C(CCCO)(CH3)2(O)	O(CC3)	C(CCCO)(CH3)2(O)	C(CCCO)(CH3)2(O)	O(CC3)	104.7675	1.213	10	104.7675	1.472	10	104.7675	1.472	10	104.9465	1.677	11	110.0748	37.699	313	110.0748	37.699	313
490	490	863	0:SP3_SP2_SP3	C	C	O	4:4:4:1:	4:4:4:2:	4:	C-4:C-4:C-4:O-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CH3)2(O)	C(CCCO)(CH3)2(OH)	O(CC3)	C(CCCO)(CH3)2(O)	C(CCCO)(CH3)2(OH)	O(CC3)	107.4232	0.688	4	107.4232	0.474	4	107.4232	0.474	4	107.4232	0.474	4	110.0748	37.699	313	110.0748	37.699	313
490	490	865	0:SP3_SP3_SP3	C	C	P[3]	4:4:1:1:	4:4:4:4:	4:3:4:4:	P[3]-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[3]-4:P[3]-3:C-4:C-4:	C(P[3]C[3]P[3]C)(CC3)(H)2	C(CP[3]HH)(CH3)3	P[3](C[3]P[3]CH)(P[3]C[3]C)(CCHH)(CC3)	C(P[3]C[3]P[3]C)(CC3)(H)2	C(CP[3]HH)(CH3)3	P[3](C[3]P[3]CH)(P[3]C[3]C)(CCHH)(CC3)	121.6950	0.000	1	121.6950	0.000	1	121.6950	0.000	1	121.6950	0.000	1	110.3345	19.356	10	110.3345	19.356	10
490	490	865	0:SP3_SP3_SP3	C	C	P[3]	4:4:4:4:	4:1:1:1:	3:3:4:4:	P[3]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[3]-3:C[3]-3:C-4:C-4:	C(P[3]C[3]2C)(CH3)3	C(CP[3]CC)(H)3	P[3](C[3]C[6a]C[3])(C[3]C[3]B)(CC3)2	C(P[3]C[3]2C)(CH3)3	C(CP[3]CC)(H)3	P[3](C[3]C[6a]C[3])(C[3]C[3]B)(CC3)2{2|C<3>}	109.0470	1.723	6	109.0470	2.968	6	109.0470	2.968	6	109.0470	2.968	6	110.3345	19.356	10	110.3345	19.356	10
490	490	865	0:SP3_SP3_SP3	C	C	P[3]	4:4:4:4:	4:1:1:1:	4:3:4:4:	P[3]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[3]-4:P[3]-3:C-4:C-4:	C(P[3]C[3]P[3]C)(CH3)3	C(CP[3]CC)(H)3	P[3](C[3]P[3]CH)(P[3]C[3]C)(CCHH)(CC3)	C(P[3]C[3]P[3]C)(CH3)3	C(CP[3]CC)(H)3	P[3](C[3]P[3]CH)(P[3]C[3]C)(CCHH)(CC3)	109.1227	2.824	3	109.1227	7.977	3	109.1227	7.977	3	109.1227	7.977	3	110.3345	19.356	10	110.3345	19.356	10
490	490	871	0:SP3_SP3_SP3	C	C	O	3:4:1:1:	4:1:1:1:	4:4:4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	Ga-4:C-4:C-4:	C(OGaC)(CH3)(H)2	C(CHHO)(H)3	O(GaCl2C)(CCHH)2	C(OGaC)(CH3)(H)2	C(CHHO)(H)3	O(GaCl2C)(CCHH)2	111.6797	1.067	6	111.6797	1.139	6	111.6797	1.139	6	111.6797	1.139	6	112.3372	7.603	21	112.3372	7.603	21
490	490	871	0:SP3_SP3_SP3	C	C	O	3:4:1:1:	4:1:1:1:	5:4:4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	In[6]-5:In[6]-4:C-4:	C(OIn[6]2)(CH3)(H)2	C(CHHO)(H)3	O(In[6]N[6]O[6]Br2)(In[6]N[6]O[6]Br)(CCHH)	C(OIn[6]2)(CH3)(H)2	C(CHHO)(H)3	O(In[6]N[6]O[6]Br2)(In[6]N[6]O[6]Br)(CCHH)	121.4790	0.000	1	121.4790	0.000	1	121.4790	0.000	1	121.4790	0.000	1	112.3372	7.603	21	112.3372	7.603	21
490	490	871	0:SP3_SP3_SP3	C	C	O	3:4:1:1:	4:1:1:1:	6:4:1:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	In[5,5]-6:C-4:H-1:	C(OIn[5,5]H)(CH3)(H)2	C(CHHO)(H)3	O(In[5,5]N[5,5]N[5,6]S[5]Cl2)(CCHH)(H)	C(OIn[5,5]H)(CH3)(H)2	C(CHHO)(H)3	O(In[5,5]N[5,5]N[5,6]S[5]Cl2)(CCHH)(H)	112.0160	0.000	1	112.0160	0.000	1	112.0160	0.000	1	112.0160	0.000	1	112.3372	7.603	21	112.3372	7.603	21
490	490	871	0:SP3_SP3_SP3	C	C	O	3:4:1:1:	4:1:1:1:	6:4:4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	Ge-6:C-4:C-4:	C(OGeC)(CH3)(H)2	C(CHHO)(H)3	O(GeF4O)(CCHH)2	C(OGeC)(CH3)(H)2	C(CHHO)(H)3	O(GeF4O)(CCHH)2	112.0695	0.172	2	112.0695	0.030	2	112.0695	0.030	2	111.4705	0.926	4	112.3372	7.603	21	112.3372	7.603	21
490	490	871	0:SP3_SP3_SP3	C	C	O	3:4:1:1:	4:1:1:1:	6:4:4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	Nb[5,5]-6:C-4:C-4:	C(ONb[5,5]C)(CH3)(H)2	C(CHHO)(H)3	O(Nb[5,5]N[5,5]O[5]2Cl2)(CCHH)2	C(ONb[5,5]C)(CH3)(H)2	C(CHHO)(H)3	O(Nb[5,5]N[5,5]O[5]2Cl2)(CCHH)2	110.8715	1.146	2	110.8715	1.314	2	110.8715	1.314	2	111.4705	0.926	4	112.3372	7.603	21	112.3372	7.603	21
490	490	871	0:SP3_SP3_SP3	C	C	O	4:3:1:1:	4:1:1:1:	4:1:1:	C-4:O-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:	C(CH3)(OHH)(H)2	C(CHHO)(H)3	O(CCHH)(H)2	C(CH3)(OHH)(H)2	C(CHHO)(H)3	O(CCHH)(H)2	109.7910	0.000	1	109.7910	0.000	1	109.7910	0.000	1	109.7910	0.000	1	112.3372	7.603	21	112.3372	7.603	21
490	490	871	0:SP3_SP3_SP3	C	C	O	4:3:1:1:	4:1:1:1:	4:3:2:	C-4:O-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-2:	C(CH3)(OCH)(H)2	C(CHHO)(H)3	O(CCHH)(CCO)(HO)	C(CH3)(OCH)(H)2	C(CHHO)(H)3	O(CCHH)(CCO)(HO)	117.0700	0.000	1	117.0700	0.000	1	117.0700	0.000	1	117.0700	0.000	1	112.3372	7.603	21	112.3372	7.603	21
490	490	871	0:SP3_SP3_SP3	C	C	O	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:O-3:H-1:H-1:	C-4:H-1:H-1:H-1:	B-4:C-4:C-4:	C(CH3)(OBC)(H)2	C(CHHO)(H)3	O(BC[6a]3)(CCHH)2	C(CH3)(OBC)(H)2	C(CHHO)(H)3	O(BC[6a]3)(CCHH)2	112.9163	1.964	4	112.9163	3.858	4	111.9403	4.601	6	111.9403	4.601	6	112.3372	7.603	21	112.3372	7.603	21
490	490	871	0:SP3_SP3_SP3	C	C	O	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:O-3:H-1:H-1:	C-4:H-1:H-1:H-1:	B-4:C-4:C-4:	C(CH3)(OBC)(H)2	C(CHHO)(H)3	O(BCl3)(CCHH)2	C(CH3)(OBC)(H)2	C(CHHO)(H)3	O(BCl3)(CCHH)2	109.9885	0.052	2	109.9885	0.003	2	111.9403	4.601	6	111.9403	4.601	6	112.3372	7.603	21	112.3372	7.603	21
490	490	871	0:SP3_SP3_SP3	C	C	O	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:O-3:H-1:H-1:	C-4:C-4:H-1:H-1:	Ga-4:C-4:Ga-4:	C(CCHH)(OGa2)(H)2	C(CN[5]HH)(CHHO)(H)2	O(GaC[5]CC)(CCHH)(GaC3)	C(CCHH)(OGa2)(H)2	C(CN[5]HH)(CHHO)(H)2	O(GaC[5]CC)(CCHH)(GaC3)	111.1240	0.000	1	111.1240	0.000	1	111.1240	0.000	1	111.1240	0.000	1	112.3372	7.603	21	112.3372	7.603	21
490	490	872	0:SP3_SP3_SP3	C	C	Si[3,4,4]	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si[3,4,4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[3,4,5,5]-4:Si[3,4,5,5]-4:Si[3x4,5]-4:C-4:	C(Si[3,4,4]Si[3,4,5,5]2Si[3x4,5])(CH3)3	C(CSi[3,4,4]CC)(H)3	Si[3,4,4](Si[3,4,5,5]Si[3,4,5,5]Si[4,4,5,5]C)2(Si[3x4,5]Si[4,4,5,5]2C)(CC3)	C(Si[3,4,4]Si[3,4,5,5]2Si[3x4,5])(CH3)3	C(CSi[3,4,4]CC)(H)3	Si[3,4,4](Si[3,4,5,5]Si[3,4,5,5]Si[4,4,5,5]C)2(Si[3x4,5]Si[4,4,5,5]2C)(CC3){1|Si<4>}	109.7473	1.386	3	109.7473	1.921	3	109.7473	1.921	3	109.7473	1.921	3	109.7473	1.921	3	110.4710	6.145	30
490	490	872	0:SP3_SP3_SP3	C	C	Si[3,4,5,5]	4:4:4:4:	4:1:1:1:	4:4:3:4:	Si[3,4,5,5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[3,4,5,5]-4:Si[3,4,4]-4:Si[4,4,5,5]-3:C-4:	C(Si[3,4,5,5]Si[3,4,5,5]Si[4,4,5,5]Si[3,4,4])(CH3)3	C(CSi[3,4,5,5]CC)(H)3	Si[3,4,5,5](Si[3,4,5,5]Si[4,4,5,5]Si[3,4,4]C)(Si[3,4,4]Si[3,4,5,5]Si[3x4,5]C)(Si[4,4,5,5]Si[3x4,5]Si[4,5,5])(CC3)	C(Si[3,4,5,5]Si[3,4,5,5]Si[4,4,5,5]Si[3,4,4])(CH3)3	C(CSi[3,4,5,5]CC)(H)3	Si[3,4,5,5](Si[3,4,5,5]Si[4,4,5,5]Si[3,4,4]C)(Si[3,4,4]Si[3,4,5,5]Si[3x4,5]C)(Si[4,4,5,5]Si[3x4,5]Si[4,5,5])(CC3){3|C<4>}	109.5145	1.719	6	109.5145	2.955	6	109.5145	2.955	6	109.5145	2.955	6	109.5145	2.955	6	110.4710	6.145	30
490	490	872	0:SP3_SP3_SP3	C	C	Si[3]	4:4:1:1:	4:4:1:1:	4:4:3:4:	Si[3]-4:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C[3]-4:C[3]-4:N-3:C-4:	C(Si[3]C[3]2N)(CSiHH)(H)2	C(CSi[3]HH)(SiSi3)(H)2	Si[3](C[3]C[3]HH)2(NC[6a]Si)(CCHH)	C(Si[3]C[3]2N)(CSiHH)(H)2	C(CSi[3]HH)(SiSi3)(H)2	Si[3](C[3]C[3]HH)2(NC[6a]Si)(CCHH)	114.1410	0.000	1	114.1410	0.000	1	114.1410	0.000	1	114.1410	0.000	1	110.8476	7.477	21	110.4710	6.145	30
490	490	872	0:SP3_SP3_SP3	C	C	Si[3]	4:4:4:1:	4:1:1:1:	4:4:4:4:	Si[3]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[3]-4:Si[3]-4:C-4:C-4:	C(Si[3]Si[3]C[3]C)(CH3)2(H)	C(CSi[3]CH)(H)3	Si[3](C[3]Si[3]Si2)(Si[3]C[3]SiC)(CSi2H)(CCCH)	C(Si[3]Si[3]C[3]C)(CH3)2(H)	C(CSi[3]CH)(H)3	Si[3](C[3]Si[3]Si2)(Si[3]C[3]SiC)(CSi2H)(CCCH)	113.4110	5.582	2	113.4110	31.158	2	113.4110	31.158	2	113.4110	31.158	2	110.8476	7.477	21	110.4710	6.145	30
490	490	872	0:SP3_SP3_SP3	C	C	Si[3]	4:4:4:4:	4:1:1:1:	3:4:3:4:	Si[3]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:Si[3,5]-4:C[3]-3:C-4:	C(Si[3]Si[3,5]C[6a]C[3])(CH3)3	C(CSi[3]CC)(H)3	Si[3](C[6a]C[6a,6a]C[6a])(Si[3,5]C[3]C[5]2)(C[3]Si[3,5]N)(CC3)	C(Si[3]Si[3,5]C[6a]C[3])(CH3)3	C(CSi[3]CC)(H)3	Si[3](C[6a]C[6a,6a]C[6a])(Si[3,5]C[3]C[5]2)(C[3]Si[3,5]N)(CC3){4|Si<4>,1|H<1>,2|C<4>,3|C<3>}	110.2610	2.657	6	110.2610	7.060	6	110.2610	7.060	6	110.2610	7.060	6	110.8476	7.477	21	110.4710	6.145	30
490	490	872	0:SP3_SP3_SP3	C	C	Si[3]	4:4:4:4:	4:1:1:1:	4:3:3:4:	Si[3]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[3,5]-4:C[6a]-3:C[3]-3:C-4:	C(Si[3]Si[3,5]C[6a]C[3])(CH3)3	C(CSi[3]CC)(H)3	Si[3](Si[3,5]C[3]C[5]2)(C[6a]C[6a,6a]2)(C[3]Si[3,5]N)(CC3)	C(Si[3]Si[3,5]C[6a]C[3])(CH3)3	C(CSi[3]CC)(H)3	Si[3](Si[3,5]C[3]C[5]2)(C[6a]C[6a,6a]2)(C[3]Si[3,5]N)(CC3){4|Si<4>,2|C<4>,4|C<3>}	110.4022	2.704	6	110.4022	7.314	6	110.4022	7.314	6	110.4022	7.314	6	110.8476	7.477	21	110.4710	6.145	30
490	490	872	0:SP3_SP3_SP3	C	C	Si[3]	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si[3]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[3]-4:C[3]-4:C-4:C-4:	C(Si[3]C[3]2C)(CH3)3	C(CSi[3]CC)(H)3	Si[3](C[3]C[3]SiH)(C[3]C[3]HH)(CC3)2	C(Si[3]C[3]2C)(CH3)3	C(CSi[3]CC)(H)3	Si[3](C[3]C[3]SiH)(C[3]C[3]HH)(CC3)2	110.4763	1.921	6	110.4763	3.689	6	110.4763	3.689	6	110.4763	3.689	6	110.8476	7.477	21	110.4710	6.145	30
490	490	874	0:SP3_SP3_SP3	C	C	B[6,6]	4:4:1:1:	3:4:1:1:	4:4:4:4:	B[6,6]-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C-4:N-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	B[6,6](C[6,6]C[6]2H)2(CCHH)(NHHN)	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	B[6,6](C[6,6]C[6]2H)2(CCHH)(NHHN){2|C<4>,8|H<1>}	118.3970	6.518	2	118.3970	42.486	2	118.3970	42.486	2	118.3970	42.486	2	115.7853	4.460	20	115.7701	4.688	79
490	490	874	0:SP3_SP3_SP3	C	C	B[6,6]	4:4:1:1:	4:4:1:1:	4:4:3:4:	B[6,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:S-3:C-4:	C(B[6,6]C[6,6]2S)(CCHH)(H)2	C(CB[6,6]HH)(CN[5]HH)(H)2	B[6,6](C[6,6]C[6]2H)2(SC[6a]Fe)(CCHH)	C(B[6,6]C[6,6]2S)(CCHH)(H)2	C(CB[6,6]HH)(CN[5]HH)(H)2	B[6,6](C[6,6]C[6]2H)2(SC[6a]Fe)(CCHH){2|C<4>,8|H<1>}	113.9140	0.000	1	113.9140	0.000	1	113.8045	0.024	2	113.8045	0.024	2	115.7853	4.460	20	115.7701	4.688	79
490	490	874	0:SP3_SP3_SP3	C	C	B[6,6]	4:4:1:1:	4:4:1:1:	4:4:3:4:	B[6,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:S-3:C-4:	C(B[6,6]C[6,6]2S)(CCHH)(H)2	C(CB[6,6]HH)(CN[5]HH)(H)2	B[6,6](C[6,6]C[6]2H)2(SC[6a]Zn)(CCHH)	C(B[6,6]C[6,6]2S)(CCHH)(H)2	C(CB[6,6]HH)(CN[5]HH)(H)2	B[6,6](C[6,6]C[6]2H)2(SC[6a]Zn)(CCHH){2|C<4>,8|H<1>}	113.6950	0.000	1	113.6950	0.000	1	113.8045	0.024	2	113.8045	0.024	2	115.7853	4.460	20	115.7701	4.688	79
490	490	874	0:SP3_SP3_SP3	C	C	B[6,6]	4:4:1:1:	4:4:1:1:	4:4:4:2:	B[6,6]-4:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C-4:O-2:	C(B[6,6]C[6,6]2O)(CHHP)(H)2	C(CB[6,6]HH)(PC[6a]2Re)(H)2	B[6,6](C[6,6]C[6]2H)2(CCHH)(OC)	C(B[6,6]C[6,6]2O)(CHHP)(H)2	C(CB[6,6]HH)(PC[6a]2Re)(H)2	B[6,6](C[6,6]C[6]2H)2(CCHH)(OC){2|C<4>,8|H<1>}	113.0960	0.000	1	113.0960	0.000	1	113.0960	0.000	1	113.0960	0.000	1	115.7853	4.460	20	115.7701	4.688	79
490	490	874	0:SP3_SP3_SP3	C	C	B[6,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	B[6,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C-4:N-4:	C(B[6,6]C[6,6]2N)(CCHH)(H)2	C(CB[6,6]HH)(CCHH)(H)2	B[6,6](C[6,6]C[6]2H)2(CCHH)(NHHN)	C(B[6,6]C[6,6]2N)(CCHH)(H)2	C(CB[6,6]HH)(CCHH)(H)2	B[6,6](C[6,6]C[6]2H)2(CCHH)(NHHN){2|C<4>,8|H<1>}	114.6880	0.000	1	114.6880	0.000	1	115.8170	0.693	12	115.8805	0.955	15	115.7853	4.460	20	115.7701	4.688	79
490	490	874	0:SP3_SP3_SP3	C	C	B[6,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	B[6,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C-4:N-4:	C(B[6,6]C[6,6]2N)(CCHH)(H)2	C(CB[6,6]HH)(CN[5]HH)(H)2	B[6,6](C[6,6]C[6]2H)2(CCHH)(NH3)	C(B[6,6]C[6,6]2N)(CCHH)(H)2	C(CB[6,6]HH)(CN[5]HH)(H)2	B[6,6](C[6,6]C[6]2H)2(CCHH)(NH3){2|C<4>,8|H<1>}	115.6647	0.927	3	115.6647	0.859	3	115.8170	0.693	12	115.8805	0.955	15	115.7853	4.460	20	115.7701	4.688	79
490	490	874	0:SP3_SP3_SP3	C	C	B[6,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	B[6,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C-4:N-4:	C(B[6,6]C[6,6]2N)(CCHH)(H)2	C(CB[6,6]HH)(CN[5]HH)(H)2	B[6,6](C[6,6]C[6]2H)2(CCHH)(NHHN)	C(B[6,6]C[6,6]2N)(CCHH)(H)2	C(CB[6,6]HH)(CN[5]HH)(H)2	B[6,6](C[6,6]C[6]2H)2(CCHH)(NHHN){2|C<4>,8|H<1>}	115.9417	0.811	7	115.9417	0.658	7	115.8170	0.693	12	115.8805	0.955	15	115.7853	4.460	20	115.7701	4.688	79
490	490	874	0:SP3_SP3_SP3	C	C	B[6,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	B[6,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C-4:N-4:	C(B[6,6]C[6,6]2N)(CCHH)(H)2	C(CB[6,6]HH)(CN[5]HH)(H)2	B[6,6](C[6,6]C[6]2H)2(CCHH)(NHHO)	C(B[6,6]C[6,6]2N)(CCHH)(H)2	C(CB[6,6]HH)(CN[5]HH)(H)2	B[6,6](C[6,6]C[6]2H)2(CCHH)(NHHO){2|C<4>,8|H<1>}	116.5300	0.000	1	116.5300	0.000	1	115.8170	0.693	12	115.8805	0.955	15	115.7853	4.460	20	115.7701	4.688	79
490	490	874	0:SP3_SP3_SP3	C	C	B[6,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	B[6,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:N-4:C-4:	C(B[6,6]C[6,6]2N)(CCHH)(H)2	C(CB[6,6]HH)(CN[5]HH)(H)2	B[6,6](C[6,6]C[6]2H)2(NFeHH)(CCHH)	C(B[6,6]C[6,6]2N)(CCHH)(H)2	C(CB[6,6]HH)(CN[5]HH)(H)2	B[6,6](C[6,6]C[6]2H)2(NFeHH)(CCHH){2|C<4>,8|H<1>}	116.1343	1.658	3	116.1343	2.749	3	116.1343	2.749	3	115.8805	0.955	15	115.7853	4.460	20	115.7701	4.688	79
490	490	874	0:SP3_SP3_SP3	C	C	B[6]	4:4:1:1:	4:1:1:1:	3:2:4:4:	B[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6]-3:O[6]-2:C-4:C-4:	C(B[6]C[5,6]O[6]C)(CH3)(H)2	C(CB[6]HH)(H)3	B[6](C[5,6]N[5,6]C[5])(O[6]C[6])(CCHH)2	C(B[6]C[5,6]O[6]C)(CH3)(H)2	C(CB[6]HH)(H)3	B[6](C[5,6]N[5,6]C[5])(O[6]C[6])(CCHH)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	115.5040	1.715	2	115.5040	2.943	2	114.4136	3.593	8	114.7366	4.311	22	115.7649	4.843	59	115.7701	4.688	79
490	490	874	0:SP3_SP3_SP3	C	C	B[6]	4:4:1:1:	4:1:1:1:	3:2:4:4:	B[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6]-3:O[6]-2:C-4:C-4:	C(B[6]C[5,6]O[6]C)(CH3)(H)2	C(CB[6]HH)(H)3	B[6](C[5,6]N[5,6]N[5])(O[6]C[6,6a])(CCHH)2	C(B[6]C[5,6]O[6]C)(CH3)(H)2	C(CB[6]HH)(H)3	B[6](C[5,6]N[5,6]N[5])(O[6]C[6,6a])(CCHH)2{1|N<2>,4|C<3>}	114.3275	2.411	4	114.3275	5.814	4	114.4136	3.593	8	114.7366	4.311	22	115.7649	4.843	59	115.7701	4.688	79
490	490	874	0:SP3_SP3_SP3	C	C	B[6]	4:4:1:1:	4:1:1:1:	3:2:4:4:	B[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6]-3:O[6]-2:C-4:C-4:	C(B[6]C[5,6]O[6]C)(CH3)(H)2	C(CB[6]HH)(H)3	B[6](C[5,6]N[5,6]N[5])(O[6]C[6])(CCHH)2	C(B[6]C[5,6]O[6]C)(CH3)(H)2	C(CB[6]HH)(H)3	B[6](C[5,6]N[5,6]N[5])(O[6]C[6])(CCHH)2{1|C<4>,1|H<1>,4|C<3>}	113.4955	0.821	2	113.4955	0.674	2	114.4136	3.593	8	114.7366	4.311	22	115.7649	4.843	59	115.7701	4.688	79
490	490	874	0:SP3_SP3_SP3	C	C	B[6]	4:4:1:1:	4:1:1:1:	3:2:4:4:	B[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	N[6,6]-3:O[6]-2:C-4:C-4:	C(B[6]N[6,6]O[6]C)(CH3)(H)2	C(CB[6]HH)(H)3	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)2	C(B[6]N[6,6]O[6]C)(CH3)(H)2	C(CB[6]HH)(H)3	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)2{1|C<4>,1|H<1>,4|C<3>}	114.3030	2.049	2	114.8998	5.375	12	114.8998	5.375	12	114.7366	4.311	22	115.7649	4.843	59	115.7701	4.688	79
490	490	874	0:SP3_SP3_SP3	C	C	B[6]	4:4:1:1:	4:1:1:1:	3:2:4:4:	B[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	N[6,6]-3:O[6]-2:C-4:C-4:	C(B[6]N[6,6]O[6]C)(CH3)(H)2	C(CB[6]HH)(H)3	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)2	C(B[6]N[6,6]O[6]C)(CH3)(H)2	C(CB[6]HH)(H)3	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)2{1|C<4>,2|H<1>,3|C<3>}	115.1669	2.595	8	114.8998	5.375	12	114.8998	5.375	12	114.7366	4.311	22	115.7649	4.843	59	115.7701	4.688	79
490	490	874	0:SP3_SP3_SP3	C	C	B[6]	4:4:1:1:	4:1:1:1:	3:2:4:4:	B[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	N[6,6]-3:O[6]-2:C-4:C-4:	C(B[6]N[6,6]O[6]C)(CH3)(H)2	C(CB[6]HH)(H)3	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)2	C(B[6]N[6,6]O[6]C)(CH3)(H)2	C(CB[6]HH)(H)3	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)2{1|H<1>,2|C<4>,3|C<3>}	114.4285	2.460	2	114.8998	5.375	12	114.8998	5.375	12	114.7366	4.311	22	115.7649	4.843	59	115.7701	4.688	79
490	490	874	0:SP3_SP3_SP3	C	C	B[6]	4:4:1:1:	4:1:1:1:	3:2:4:4:	B[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	N[6]-3:O[6]-2:C-4:C-4:	C(B[6]N[6]O[6]C)(CH3)(H)2	C(CB[6]HH)(H)3	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(CCHH)2	C(B[6]N[6]O[6]C)(CH3)(H)2	C(CB[6]HH)(H)3	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(CCHH)2{1|H<1>,4|C<3>}	115.0495	2.215	2	115.0495	4.908	2	115.0495	4.908	2	114.7366	4.311	22	115.7649	4.843	59	115.7701	4.688	79
490	490	874	0:SP3_SP3_SP3	C	C	B[6]	4:4:1:1:	4:1:1:1:	3:3:4:4:	B[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	N[5,6]-3:N[5,6]-3:C-4:C-4:	C(B[6]N[5,6]2C)(CH3)(H)2	C(CB[6]HH)(H)3	B[6](N[5,6]C[5,6a]N[5,6])(N[5,6]N[5,6]C[5])(CCHH)2	C(B[6]N[5,6]2C)(CH3)(H)2	C(CB[6]HH)(H)3	B[6](N[5,6]C[5,6a]N[5,6])(N[5,6]N[5,6]C[5])(CCHH)2{1|B<4>,1|H<1>,5|C<3>}	116.1363	0.975	4	116.1363	0.951	4	116.1363	0.951	4	115.8701	0.626	8	115.7649	4.843	59	115.7701	4.688	79
490	490	874	0:SP3_SP3_SP3	C	C	B[6]	4:4:1:1:	4:1:1:1:	3:3:4:4:	B[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	N[5a,6]-3:C[5,6]-3:C-4:C-4:	C(B[6]N[5a,6]C[5,6]C)(CH3)(H)2	C(CB[6]HH)(H)3	B[6](N[5a,6]C[5a,6,6a]C[5a])(C[5,6]N[5,6]N[5])(CCHH)2	C(B[6]N[5a,6]C[5,6]C)(CH3)(H)2	C(CB[6]HH)(H)3	B[6](N[5a,6]C[5a,6,6a]C[5a])(C[5,6]N[5,6]N[5])(CCHH)2{1|C<4>,1|H<1>,1|N<2>,4|C<3>}	115.6970	0.109	2	115.6970	0.012	2	115.6970	0.012	2	115.8701	0.626	8	115.7649	4.843	59	115.7701	4.688	79
490	490	874	0:SP3_SP3_SP3	C	C	B[6]	4:4:1:1:	4:1:1:1:	3:3:4:4:	B[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	N[6,6]-3:N[6]-3:C-4:C-4:	C(B[6]N[6,6]N[6]C)(CH3)(H)2	C(CB[6]HH)(H)3	B[6](N[6,6]C[6,6]C[6])(N[6]C[6]H)(CCHH)2	C(B[6]N[6,6]N[6]C)(CH3)(H)2	C(CB[6]HH)(H)3	B[6](N[6,6]C[6,6]C[6])(N[6]C[6]H)(CCHH)2{1|H<1>,4|C<3>}	115.5110	0.957	2	115.5110	0.917	2	115.5110	0.917	2	115.8701	0.626	8	115.7649	4.843	59	115.7701	4.688	79
490	490	874	0:SP3_SP3_SP3	C	C	B[6]	4:4:1:1:	4:4:1:1:	3:3:4:4:	B[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N[5,6]-3:N[5,6]-3:C-4:C-4:	C(B[6]N[5,6]2C)(CCHH)(H)2	C(CB[6]HH)(CCHH)(H)2	B[6](N[5,6]N[5,6]C[5])2(CCHH)2	C(B[6]N[5,6]2C)(CCHH)(H)2	C(CB[6]HH)(CCHH)(H)2	B[6](N[5,6]N[5,6]C[5])2(CCHH)2{1|B<4>,2|H<1>,4|C<3>}	117.6426	1.305	14	117.6426	1.703	14	117.6426	1.703	14	117.4391	1.417	22	115.7649	4.843	59	115.7701	4.688	79
490	490	874	0:SP3_SP3_SP3	C	C	B[6]	4:4:1:1:	4:4:1:1:	3:3:4:4:	B[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N[5a,6]-3:N[5,6]-3:C-4:C-4:	C(B[6]N[5a,6]N[5,6]C)(CCHH)(H)2	C(CB[6]HH)(CCHH)(H)2	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(CCHH)2	C(B[6]N[5a,6]N[5,6]C)(CCHH)(H)2	C(CB[6]HH)(CCHH)(H)2	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(CCHH)2{1|H<1>,3|C<3>,3|C<4>}	117.0595	0.954	4	117.0830	0.860	8	117.0830	0.860	8	117.4391	1.417	22	115.7649	4.843	59	115.7701	4.688	79
490	490	874	0:SP3_SP3_SP3	C	C	B[6]	4:4:1:1:	4:4:1:1:	3:3:4:4:	B[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N[5a,6]-3:N[5,6]-3:C-4:C-4:	C(B[6]N[5a,6]N[5,6]C)(CCHH)(H)2	C(CB[6]HH)(CCHH)(H)2	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(CCHH)2	C(B[6]N[5a,6]N[5,6]C)(CCHH)(H)2	C(CB[6]HH)(CCHH)(H)2	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(CCHH)2{2|C<3>,2|H<1>,4|C<4>}	117.1065	1.046	4	117.0830	0.860	8	117.0830	0.860	8	117.4391	1.417	22	115.7649	4.843	59	115.7701	4.688	79
490	490	874	0:SP3_SP3_SP3	C	C	B[6]	4:4:1:1:	4:4:1:1:	4:4:4:2:	B[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C(B[6]C[6]2O)(CC[6]HH)(H)2	C(C[6]C[6]2H)(CB[6]HH)(H)2	B[6](C[6]C[6,6]HH)2(CCHH)(OS)	C(B[6]C[6]2O)(CC[6]HH)(H)2	C(C[6]C[6]2H)(CB[6]HH)(H)2	B[6](C[6]C[6,6]HH)2(CCHH)(OS){2|H<1>,3|C<4>}	116.8765	0.251	2	116.8765	0.063	2	116.8765	0.063	2	116.8765	0.063	2	115.7649	4.843	59	115.7701	4.688	79
490	490	874	0:SP3_SP3_SP3	C	C	B[6]	4:4:4:4:	4:1:1:1:	3:3:3:4:	B[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[5,6]-3:N[5,6]-3:C[6a]-3:C-4:	C(B[6]N[5,6]2C[6a])(CH3)3	C(CB[6]CC)(H)3	B[6](N[5,6]N[5,6]C[5])2(C[6a]C[6a]2)(CC3)	C(B[6]N[5,6]2C[6a])(CH3)3	C(CB[6]CC)(H)3	B[6](N[5,6]N[5,6]C[5])2(C[6a]C[6a]2)(CC3){1|B<4>,4|H<1>,6|C<3>}	112.3094	1.497	5	112.3094	2.241	5	112.3094	2.241	5	112.3094	2.241	5	115.7649	4.843	59	115.7701	4.688	79
490	490	876	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:2:	C-4:H-2:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:Cl-2:	C(CC[5a]HH)(HCl)(H)2	C(C[5a]C[5a]2)(CH3)(H)2	H(CCHH)(ClC)	C(CC[5a]HH)(HCl)(H)2	C(C[5a]C[5a]2)(CH3)(H)2	H(CCHH)(ClC)	109.4860	0.000	1	109.4860	0.000	1	109.4860	0.000	1	109.4860	0.000	1	109.4860	0.000	1	109.4860	0.000	1
490	490	878	0:SP3_SP-NON_SP3	C	C	Ga[4,4,6]	4:4:4:4:	4:1:1:1:	3:3:4:4:	Ga[4,4,6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[4,4,6]-3:N[4,4,6]-3:N[4,6,6]-4:C-4:	C(Ga[4,4,6]N[4,4,6]2N[4,6,6])(CH3)3	C(CGa[4,4,6]CC)(H)3	Ga[4,4,6](N[4,4,6]Ga[4,4,6]Ga[4,6,6])2(N[4,6,6]Ga[4,6,6]2H)(CC3)	C(Ga[4,4,6]N[4,4,6]2N[4,6,6])(CH3)3	C(CGa[4,4,6]CC)(H)3	Ga[4,4,6](N[4,4,6]Ga[4,4,6]Ga[4,6,6])2(N[4,6,6]Ga[4,6,6]2H)(CC3){2|N<3>,2|N<4>,4|C<4>}	109.6537	0.940	3	109.6537	0.883	3	109.6537	0.883	3	109.6537	0.883	3	109.6795	0.658	6	110.4294	6.576	64
490	490	878	0:SP3_SP-NON_SP3	C	C	Ga[4,4,6]	4:4:4:4:	4:1:1:1:	4:4:3:4:	Ga[4,4,6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[4,4,6]-4:N[4,4,6]-4:N[4,6,6]-3:C-4:	C(Ga[4,4,6]N[4,4,6]2N[4,6,6])(CH3)3	C(CGa[4,4,6]CC)(H)3	Ga[4,4,6](N[4,4,6]Ga[4,4,6]Ga[4,6,6]H)2(N[4,6,6]Ga[4,6,6]2)(CC3)	C(Ga[4,4,6]N[4,4,6]2N[4,6,6])(CH3)3	C(CGa[4,4,6]CC)(H)3	Ga[4,4,6](N[4,4,6]Ga[4,4,6]Ga[4,6,6]H)2(N[4,6,6]Ga[4,6,6]2)(CC3){2|N<3>,2|N<4>,4|C<4>}	109.7053	0.871	3	109.7053	0.759	3	109.7053	0.759	3	109.7053	0.759	3	109.6795	0.658	6	110.4294	6.576	64
490	490	878	0:SP3_SP-NON_SP3	C	C	Ga[4,6,6]	4:4:4:4:	4:1:1:1:	4:3:3:4:	Ga[4,6,6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[4,6,6]-4:N[4,6,6]-3:N[4,4,6]-3:C-4:	C(Ga[4,6,6]N[4,4,6]N[4,6,6]2)(CH3)3	C(CGa[4,6,6]CC)(H)3	Ga[4,6,6](N[4,6,6]Ga[4,4,6]Ga[4,6,6]H)(N[4,6,6]Ga[4,4,6]Ga[4,6,6])(N[4,4,6]Ga[4,4,6]2)(CC3)	C(Ga[4,6,6]N[4,4,6]N[4,6,6]2)(CH3)3	C(CGa[4,6,6]CC)(H)3	Ga[4,6,6](N[4,6,6]Ga[4,4,6]Ga[4,6,6]H)(N[4,6,6]Ga[4,4,6]Ga[4,6,6])(N[4,4,6]Ga[4,4,6]2)(CC3){2|N<3>,3|N<4>,5|C<4>}	110.2417	1.887	3	110.2417	3.561	3	110.2417	3.561	3	110.2417	3.561	3	110.0177	2.061	6	110.4294	6.576	64
490	490	878	0:SP3_SP-NON_SP3	C	C	Ga[4,6,6]	4:4:4:4:	4:1:1:1:	4:3:4:4:	Ga[4,6,6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[4,6,6]-4:N[4,6,6]-3:N[4,4,6]-4:C-4:	C(Ga[4,6,6]N[4,4,6]N[4,6,6]2)(CH3)3	C(CGa[4,6,6]CC)(H)3	Ga[4,6,6](N[4,6,6]Ga[4,4,6]Ga[4,6,6]H)(N[4,6,6]Ga[4,4,6]Ga[4,6,6])(N[4,4,6]Ga[4,4,6]2H)(CC3)	C(Ga[4,6,6]N[4,4,6]N[4,6,6]2)(CH3)3	C(CGa[4,6,6]CC)(H)3	Ga[4,6,6](N[4,6,6]Ga[4,4,6]Ga[4,6,6]H)(N[4,6,6]Ga[4,4,6]Ga[4,6,6])(N[4,4,6]Ga[4,4,6]2H)(CC3){2|N<4>,3|N<3>,5|C<4>}	109.7937	1.201	3	109.7937	1.442	3	109.7937	1.442	3	109.7937	1.442	3	110.0177	2.061	6	110.4294	6.576	64
490	490	878	0:SP3_SP-NON_SP3	C	C	Ga[4]	4:4:1:1:	4:1:1:1:	3:3:4:4:	Ga[4]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	O[4]-3:O[4]-3:C-4:C-4:	C(Ga[4]O[4]2C)(CH3)(H)2	C(CGa[4]HH)(H)3	Ga[4](O[4]C[6a]Ga[4])2(CCHH)2	C(Ga[4]O[4]2C)(CH3)(H)2	C(CGa[4]HH)(H)3	Ga[4](O[4]C[6a]Ga[4])2(CCHH)2{2|C<4>,4|C<3>}	112.8535	2.920	4	112.8535	8.526	4	112.8535	8.526	4	112.8535	8.526	4	110.5634	7.753	52	110.4294	6.576	64
490	490	878	0:SP3_SP-NON_SP3	C	C	Ga[4]	4:4:4:4:	4:1:1:1:	3:3:4:4:	Ga[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	O[4]-3:O[4]-3:C-4:C-4:	C(Ga[4]O[4]2C)(CH3)3	C(CGa[4]CC)(H)3	Ga[4](O[4]Ga[4]C)2(CC3)2	C(Ga[4]O[4]2C)(CH3)3	C(CGa[4]CC)(H)3	Ga[4](O[4]Ga[4]C)2(CC3)2{2|C<4>}	110.9150	2.304	6	110.9150	5.308	6	110.9150	5.308	6	110.3996	3.249	18	110.5634	7.753	52	110.4294	6.576	64
490	490	878	0:SP3_SP-NON_SP3	C	C	Ga[4]	4:4:4:4:	4:1:1:1:	3:3:4:4:	Ga[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[4]-3:P[4]-3:C-4:C-4:	C(Ga[4]P[4]2C)(CH3)3	C(CGa[4]CC)(H)3	Ga[4](P[4]Ga[4]C[5])2(CC3)2	C(Ga[4]P[4]2C)(CH3)3	C(CGa[4]CC)(H)3	Ga[4](P[4]Ga[4]C[5])2(CC3)2{2|C<4>,4|N<3>}	110.1418	1.546	12	110.1418	2.391	12	110.1418	2.391	12	110.3996	3.249	18	110.5634	7.753	52	110.4294	6.576	64
490	490	878	0:SP3_SP-NON_SP3	C	C	Ga[4]	4:4:4:4:	4:1:1:1:	4:3:4:1:	Ga[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[4,5]-4:C[4]-3:C-4:H-1:	C(Ga[4]N[4,5]C[4]H)(CH3)3	C(CGa[4]CC)(H)3	Ga[4](N[4,5]Si[4]C[5]2)(C[4]Si[4]C)(CC3)(H)	C(Ga[4]N[4,5]C[4]H)(CH3)3	C(CGa[4]CC)(H)3	Ga[4](N[4,5]Si[4]C[5]2)(C[4]Si[4]C)(CC3)(H){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	109.6620	3.450	3	109.6620	11.906	3	109.6620	11.906	3	109.6620	11.906	3	110.5634	7.753	52	110.4294	6.576	64
490	490	878	0:SP3_SP-NON_SP3	C	C	Ga[4]	4:4:4:4:	4:1:1:1:	4:4:4:1:	Ga[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[4]-4:N[4]-4:C-4:Cl-1:	C(Ga[4]N[4]2Cl)(CH3)3	C(CGa[4]CC)(H)3	Ga[4](N[4]Ga[4]CC)2(CC3)(Cl)	C(Ga[4]N[4]2Cl)(CH3)3	C(CGa[4]CC)(H)3	Ga[4](N[4]Ga[4]CC)2(CC3)(Cl){1|Cl<1>,1|C<4>}	109.7847	4.720	3	109.9017	18.467	6	109.9017	18.467	6	109.9652	20.327	9	110.5634	7.753	52	110.4294	6.576	64
490	490	878	0:SP3_SP-NON_SP3	C	C	Ga[4]	4:4:4:4:	4:1:1:1:	4:4:4:1:	Ga[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[4]-4:N[4]-4:C-4:Cl-1:	C(Ga[4]N[4]2Cl)(CH3)3	C(CGa[4]CC)(H)3	Ga[4](N[4]Ga[4]CC)2(CC3)(Cl)	C(Ga[4]N[4]2Cl)(CH3)3	C(CGa[4]CC)(H)3	Ga[4](N[4]Ga[4]CC)2(CC3)(Cl){2|Cl<1>}	110.0187	4.883	3	109.9017	18.467	6	109.9017	18.467	6	109.9652	20.327	9	110.5634	7.753	52	110.4294	6.576	64
490	490	878	0:SP3_SP-NON_SP3	C	C	Ga[4]	4:4:4:4:	4:1:1:1:	4:4:4:1:	Ga[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[4]-4:N[4]-4:C-4:H-1:	C(Ga[4]N[4]2H)(CH3)3	C(CGa[4]CC)(H)3	Ga[4](N[4]Ga[4]CC)2(CC3)(H)	C(Ga[4]N[4]2H)(CH3)3	C(CGa[4]CC)(H)3	Ga[4](N[4]Ga[4]CC)2(CC3)(H){1|C<4>,1|H<1>}	110.0923	5.925	3	110.0923	35.106	3	110.0923	35.106	3	109.9652	20.327	9	110.5634	7.753	52	110.4294	6.576	64
490	490	878	0:SP3_SP-NON_SP3	C	C	Ga[4]	4:4:4:4:	4:1:1:1:	4:4:4:4:	Ga[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[4]-4:N[4]-4:C-4:C-4:	C(Ga[4]N[4]2C)(CH3)3	C(CGa[4]CC)(H)3	Ga[4](N[4]Ga[4]HN)2(CC3)2	C(Ga[4]N[4]2C)(CH3)3	C(CGa[4]CC)(H)3	Ga[4](N[4]Ga[4]HN)2(CC3)2{2|C<4>}	110.7801	2.816	12	110.7801	7.931	12	110.7801	7.931	12	110.6677	5.932	18	110.5634	7.753	52	110.4294	6.576	64
490	490	878	0:SP3_SP-NON_SP3	C	C	Ga[4]	4:4:4:4:	4:1:1:1:	4:4:4:4:	Ga[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[4]-4:P[4]-4:C-4:C-4:	C(Ga[4]P[4]2C)(CH3)3	C(CGa[4]CC)(H)3	Ga[4](P[4]Ga[4]CH)2(CC3)2	C(Ga[4]P[4]2C)(CH3)3	C(CGa[4]CC)(H)3	Ga[4](P[4]Ga[4]CH)2(CC3)2{2|C<4>}	110.4428	1.621	6	110.4428	2.628	6	110.4428	2.628	6	110.6677	5.932	18	110.5634	7.753	52	110.4294	6.576	64
490	490	880	0:SP3_SP3_SP3	C	C	Si	3:4:4:1:	3:4:1:1:	3:4:4:4:	C[6a]-3:Si-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4: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	Si(C[6a]C[6a]2)(CC[6a]CH)(CH3)2	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	Si(C[6a]C[6a]2)(CC[6a]CH)(CH3)2	111.3160	0.000	1	111.3160	0.000	1	111.3160	0.000	1	111.3160	0.000	1	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	3:4:4:1:	3:4:4:1:	4:1:1:1:	C[6a]-3:C-4:Si-4:H-1:	C[6a]-3:C-4:Si-4:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C(C[6a]C[6a]2)(CC[6a]SiH)(SiCl3)(H)	C(C[6a]C[6a]2)(CC[6a]SiH)(SiCl3)(H)	Si(CC[6a]CH)(Cl)3	C(C[6a]C[6a]2)(CC[6a]SiH)(SiCl3)(H)	C(C[6a]C[6a]2)(CC[6a]SiH)(SiCl3)(H)	Si(CC[6a]CH)(Cl)3	112.8390	0.000	1	112.8390	0.000	1	112.8390	0.000	1	112.8390	0.000	1	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	3:4:4:1:	4:1:1:1:	3:4:1:1:	C[6a]-3:Si-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(C[6a]C[6a]2)(SiC[6a]HH)(CH3)(H)	C(CC[6a]SiH)(H)3	Si(C[6a]C[6a]2)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(SiC[6a]HH)(CH3)(H)	C(CC[6a]SiH)(H)3	Si(C[6a]C[6a]2)(CC[6a]CH)(H)2	111.7370	0.000	1	111.7370	0.000	1	111.7370	0.000	1	111.7370	0.000	1	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	3:4:4:1:	4:1:1:1:	3:4:2:1:	C[6a]-3:Si-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C(C[6a]C[6a]2)(SiC[6a]HO)(CH3)(H)	C(CC[6a]SiH)(H)3	Si(C[6a]C[6a]2)(CC[6a]CH)(OC[6a])(H)	C(C[6a]C[6a]2)(SiC[6a]HO)(CH3)(H)	C(CC[6a]SiH)(H)3	Si(C[6a]C[6a]2)(CC[6a]CH)(OC[6a])(H)	110.6010	0.000	1	110.6010	0.000	1	110.6010	0.000	1	110.6010	0.000	1	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	3:4:4:1:	4:1:1:1:	4:4:4:4:	C[6a]-3:Si-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(SiC3)(CH3)(H)	C(CC[6a]SiH)(H)3	Si(CC[6a]CH)(CCHH)3	C(C[6a]C[6a]2)(SiC3)(CH3)(H)	C(CC[6a]SiH)(H)3	Si(CC[6a]CH)(CCHH)3	110.9110	0.000	1	110.9110	0.000	1	110.7760	0.094	3	110.7760	0.094	3	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	3:4:4:1:	4:1:1:1:	4:4:4:4:	C[6a]-3:Si-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(SiC3)(CH3)(H)	C(CC[6a]SiH)(H)3	Si(CC[6a]CH)(CH3)3	C(C[6a]C[6a]2)(SiC3)(CH3)(H)	C(CC[6a]SiH)(H)3	Si(CC[6a]CH)(CH3)3	110.7085	0.401	2	110.7085	0.161	2	110.7760	0.094	3	110.7760	0.094	3	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	3:4:4:1:	4:3:1:1:	3:4:4:4:	C[6a]-3:Si-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C(C[6a]C[6a]2)(SiC[6a]CC)(CHHN)(H)	C(CC[6a]SiH)(NHS)(H)2	Si(C[6a]C[6a]2)(CC[6a]CH)(CH3)2	C(C[6a]C[6a]2)(SiC[6a]CC)(CHHN)(H)	C(CC[6a]SiH)(NHS)(H)2	Si(C[6a]C[6a]2)(CC[6a]CH)(CH3)2	108.8350	0.000	1	108.8350	0.000	1	108.8350	0.000	1	108.8350	0.000	1	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	3:4:4:1:	4:4:1:1:	4:4:4:4:	C[6a]-3:C-4:Si-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(CCHH)(SiC3)(H)	C(CC[6a]SiH)(CCHO)(H)2	Si(CC[6a]CH)(CH3)3	C(C[6a]C[6a]2)(CCHH)(SiC3)(H)	C(CC[6a]SiH)(CCHO)(H)2	Si(CC[6a]CH)(CH3)3	110.2470	0.000	1	110.2470	0.000	1	110.2470	0.000	1	110.2470	0.000	1	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	3:4:4:1:	4:4:4:1:	4:4:4:4:	C[6a]-3:C-4:Si-4:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(CCCH)(SiC3)(H)	C(CC[6a]SiH)(CCHO)(CH3)(H)	Si(CC[6a]CH)(CH3)3	C(C[6a]C[6a]2)(CCCH)(SiC3)(H)	C(CC[6a]SiH)(CCHO)(CH3)(H)	Si(CC[6a]CH)(CH3)3	114.8200	0.000	1	114.8200	0.000	1	114.8200	0.000	1	113.1340	5.685	2	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	3:4:4:1:	4:4:4:1:	4:4:4:4:	C[6a]-3:Si-4:C-4:H-1:	C-4:Si-4:Si-4:H-1:	C-4:Si-4:C-4:C-4:	C(C[6a]C[6a]2)(SiSiCC)(CSi2H)(H)	C(CC[6a]SiH)(SiCCH)(SiC3)(H)	Si(CC[6a]CH)(SiC3)(CH3)2	C(C[6a]C[6a]2)(SiSiCC)(CSi2H)(H)	C(CC[6a]SiH)(SiCCH)(SiC3)(H)	Si(CC[6a]CH)(SiC3)(CH3)2	111.4480	0.000	1	111.4480	0.000	1	111.4480	0.000	1	113.1340	5.685	2	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	3:4:4:2:	4:4:1:1:	4:4:4:4:	C[6a]-3:C-4:Si-4:O-2:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(CCHH)(SiC3)(OC)	C(CC[6a]SiO)(CCHO)(H)2	Si(CC[6a]CO)(CH3)3	C(C[6a]C[6a]2)(CCHH)(SiC3)(OC)	C(CC[6a]SiO)(CCHO)(H)2	Si(CC[6a]CO)(CH3)3	115.3300	0.000	1	115.3300	0.000	1	115.3300	0.000	1	115.3300	0.000	1	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	3:4:4:4:	4:1:1:1:	4:4:4:2:	C-3:Si-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C(CC[5]H)(SiCCO)(CH3)2	C(CSiCC)(H)3	Si(CCCH)2(CC3)(OH)	C(CC[5]H)(SiCCO)(CH3)2	C(CSiCC)(H)3	Si(CCCH)2(CC3)(OH)	110.6910	0.057	2	110.6910	0.003	2	110.6910	0.003	2	110.6910	0.003	2	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	3:4:4:4:	4:1:1:1:	4:4:4:4:	C[6a]-3:Si-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(SiC[5]CC)(CH3)2	C(CC[6a]SiC)(H)3	Si(C[5]C[5]2C)(CC[6a]CC)(CH3)2	C(C[6a]C[6a]2)(SiC[5]CC)(CH3)2	C(CC[6a]SiC)(H)3	Si(C[5]C[5]2C)(CC[6a]CC)(CH3)2	108.8230	1.578	2	108.8230	2.491	2	108.8230	2.491	2	108.8230	2.491	2	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	3:4:4:4:	4:4:1:1:	4:4:4:4:	Si[4a]-3:C-4:Si-4:Si-4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(Si[4a]C[4a,6a]Si[4a])(CCHH)(SiC3)2	C(CSi[4a]Si2)(CC3)(H)2	Si(CSi[4a]SiC)(CH3)3	C(Si[4a]C[4a,6a]Si[4a])(CCHH)(SiC3)2	C(CSi[4a]Si2)(CC3)(H)2	Si(CSi[4a]SiC)(CH3)3	110.0693	7.414	6	110.0693	54.967	6	110.0693	54.967	6	110.0693	54.967	6	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:2:4:1:	4:4:1:1:	4:4:4:4:	C-4:S-2:Si-4:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CC[3]HH)(SC[6a])(SiC3)(H)	C(C[3]C[3]O[3]H)(CSiHS)(H)2	Si(CCHS)(CH3)3	C(CC[3]HH)(SC[6a])(SiC3)(H)	C(C[3]C[3]O[3]H)(CSiHS)(H)2	Si(CCHS)(CH3)3	117.7960	0.000	1	117.7960	0.000	1	117.7960	0.000	1	117.7960	0.000	1	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:2:4:1:	4:4:4:1:	4:4:4:4:	C-4:S-2:Si-4:H-1:	C[3]-4:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C(CC[3]CH)(SC[6a])(SiC3)(H)	C(C[3]C[3]O[3]H)(CSiHS)(CH3)(H)	Si(CCHS)(CH3)3	C(CC[3]CH)(SC[6a])(SiC3)(H)	C(C[3]C[3]O[3]H)(CSiHS)(CH3)(H)	Si(CCHS)(CH3)3	117.9420	0.000	1	117.9420	0.000	1	117.9420	0.000	1	117.9420	0.000	1	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	2:4:1:1:	4:2:2:2:	C-4:Si-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:O-2:O-2:O-2:	C(CHHS)(SiO3)(H)2	C(SC[5a])(CSiHH)(H)2	Si(CCHH)(OC)3	C(CHHS)(SiO3)(H)2	C(SC[5a])(CSiHH)(H)2	Si(CCHH)(OC)3	113.1975	2.640	2	113.1975	6.968	2	113.1975	6.968	2	113.1975	6.968	2	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	2:4:1:1:	4:4:4:4:	C-4:Si-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CHHO)(SiC3)(H)2	C(OC[6a])(CSiHH)(H)2	Si(CCHH)(CH3)3	C(CHHO)(SiC3)(H)2	C(OC[6a])(CSiHH)(H)2	Si(CCHH)(CH3)3	115.1183	1.924	7	115.1183	3.700	7	115.1183	3.700	7	115.0343	3.228	8	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	2:4:1:1:	4:4:4:4:	C-4:Si-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CHHS)(SiC3)(H)2	C(SC[5,6])(CSiHH)(H)2	Si(CCHH)(CH3)3	C(CHHS)(SiC3)(H)2	C(SC[5,6])(CSiHH)(H)2	Si(CCHH)(CH3)3	114.4460	0.000	1	114.4460	0.000	1	114.4460	0.000	1	115.0343	3.228	8	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:Si-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:F-1:F-1:	C(CC[6a]HH)(SiCFF)(H)2	C(C[6a]C[6a]2)(CSiHH)(H)2	Si(CCHH)(CH3)(F)2	C(CC[6a]HH)(SiCFF)(H)2	C(C[6a]C[6a]2)(CSiHH)(H)2	Si(CCHH)(CH3)(F)2	114.2410	0.961	3	114.2410	0.924	3	114.2410	0.924	3	114.2410	0.924	3	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	3:4:1:1:	4:4:4:4:	C-4:Si-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CC[6a]HH)(SiC3)(H)2	C(C[6a]C[6a]2)(CSiHH)(H)2	Si(CCCH)3(CCHH)	C(CC[6a]HH)(SiC3)(H)2	C(C[6a]C[6a]2)(CSiHH)(H)2	Si(CCCH)3(CCHH)	117.1090	2.558	2	117.1090	6.545	2	117.1090	6.545	2	116.4353	4.634	3	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	3:4:1:1:	4:4:4:4:	C-4:Si-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CN[5]HH)(SiC3)(H)2	C(N[5]C[5]2)(CSiHH)(H)2	Si(CCHH)(CH3)3	C(CN[5]HH)(SiC3)(H)2	C(N[5]C[5]2)(CSiHH)(H)2	Si(CCHH)(CH3)3	115.0880	0.000	1	115.0880	0.000	1	115.0880	0.000	1	116.4353	4.634	3	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	3:4:3:1:	4:4:4:4:	C-4:Si-4:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:Si-4:Si-4:Si-4:	C(CC[6a]CH)(SiSi3)(H)2	C(C[6a]C[6a]2)(CSiHH)(COO)(H)	Si(CCHH)(SiC3)3	C(CC[6a]CH)(SiSi3)(H)2	C(C[6a]C[6a]2)(CSiHH)(COO)(H)	Si(CCHH)(SiC3)3	116.3260	0.000	1	116.3260	0.000	1	116.3260	0.000	1	116.3260	0.000	1	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	3:4:4:1:	3:4:4:4:	Si-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:C-4:	C(SiC[6a]CC)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[6a]2O)(CSiHH)(H)	Si(C[6a]C[6a]2)(CCHH)(CH3)2	C(SiC[6a]CC)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[6a]2O)(CSiHH)(H)	Si(C[6a]C[6a]2)(CCHH)(CH3)2	116.3140	0.000	1	116.3140	0.000	1	116.3140	0.000	1	116.3140	0.000	1	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	3:4:4:1:	4:4:4:4:	C-4:Si-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C(CC[6a]CH)(SiC3)(H)2	C(C[6a]C[6a]2)(CSiHH)(CHHN)(H)	Si(CCHH)(CH3)3	C(CC[6a]CH)(SiC3)(H)2	C(C[6a]C[6a]2)(CSiHH)(CHHN)(H)	Si(CCHH)(CH3)3	117.2970	0.495	3	117.2970	0.245	3	117.2970	0.245	3	117.4550	0.263	4	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	3:4:4:1:	4:4:4:4:	C-4:Si-4:H-1:H-1:	N[5a]-3:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C(CN[5a]CH)(SiC3)(H)2	C(N[5a]C[5a]2)(CSiHH)(CHHS)(H)	Si(CCHH)(CH3)3	C(CN[5a]CH)(SiC3)(H)2	C(N[5a]C[5a]2)(CSiHH)(CHHS)(H)	Si(CCHH)(CH3)3	117.9290	0.000	1	117.9290	0.000	1	117.9290	0.000	1	117.4550	0.263	4	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:1:1:1:	2:2:4:4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	O-2:O-2:C-4:C-4:	C(SiCOO)(CH3)(H)2	C(CSiHH)(H)3	Si(OC[6])2(CCHH)2	C(SiCOO)(CH3)(H)2	C(CSiHH)(H)3	Si(OC[6])2(CCHH)2	115.2903	2.391	4	115.2903	5.716	4	115.2903	5.716	4	115.2903	5.716	4	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:1:1:1:	2:4:4:4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-4:	C(SiCCO)(CH3)(H)2	C(CSiHH)(H)3	Si(OC[3x6])(CCHH)3	C(SiCCO)(CH3)(H)2	C(CSiHH)(H)3	Si(OC[3x6])(CCHH)3	114.9247	1.565	3	114.9247	2.449	3	114.9854	2.961	57	114.9854	2.961	57	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:1:1:1:	2:4:4:4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-4:	C(SiCCO)(CH3)(H)2	C(CSiHH)(H)3	Si(OC[4])(CCHH)3	C(SiCCO)(CH3)(H)2	C(CSiHH)(H)3	Si(OC[4])(CCHH)3	115.5160	0.779	3	115.5160	0.608	3	114.9854	2.961	57	114.9854	2.961	57	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:1:1:1:	2:4:4:4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-4:	C(SiCCO)(CH3)(H)2	C(CSiHH)(H)3	Si(OC[5])(CCHH)3	C(SiCCO)(CH3)(H)2	C(CSiHH)(H)3	Si(OC[5])(CCHH)3	114.3833	1.724	15	114.3833	2.974	15	114.9854	2.961	57	114.9854	2.961	57	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:1:1:1:	2:4:4:4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-4:	C(SiCCO)(CH3)(H)2	C(CSiHH)(H)3	Si(OC[6,6])(CCHH)3	C(SiCCO)(CH3)(H)2	C(CSiHH)(H)3	Si(OC[6,6])(CCHH)3	117.2147	3.390	3	117.2147	11.491	3	114.9854	2.961	57	114.9854	2.961	57	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:1:1:1:	2:4:4:4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-4:	C(SiCCO)(CH3)(H)2	C(CSiHH)(H)3	Si(OC[6])(CCHH)3	C(SiCCO)(CH3)(H)2	C(CSiHH)(H)3	Si(OC[6])(CCHH)3	115.1618	1.469	30	115.1618	2.159	30	114.9854	2.961	57	114.9854	2.961	57	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:1:1:1:	2:4:4:4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-4:	C(SiCCO)(CH3)(H)2	C(CSiHH)(H)3	Si(OSi[4x6])(CCHH)3	C(SiCCO)(CH3)(H)2	C(CSiHH)(H)3	Si(OSi[4x6])(CCHH)3	113.5327	1.417	3	113.5327	2.009	3	114.9854	2.961	57	114.9854	2.961	57	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:1:1:1:	3:3:3:4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	N[5]-3:N[5]-3:N[5]-3:C-4:	C(SiN[5]3)(CH3)(H)2	C(CSiHH)(H)3	Si(N[5]C[5]2)3(CCHH)	C(SiN[5]3)(CH3)(H)2	C(CSiHH)(H)3	Si(N[5]C[5]2)3(CCHH)	117.5480	0.000	1	117.5480	0.000	1	117.5480	0.000	1	117.5480	0.000	1	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:1:1:1:	3:3:4:2:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C(SiC[6a]2O)(CH3)(H)2	C(CSiHH)(H)3	Si(C[6a]C[6a]2)2(CCHH)(OSi)	C(SiC[6a]2O)(CH3)(H)2	C(CSiHH)(H)3	Si(C[6a]C[6a]2)2(CCHH)(OSi)	115.5890	0.000	1	115.5890	0.000	1	115.5890	0.000	1	115.5890	0.000	1	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:1:1:1:	3:3:4:4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	N[5a]-3:N[5a]-3:C-4:C-4:	C(SiN[5a]2C)(CH3)(H)2	C(CSiHH)(H)3	Si(N[5a]C[5a,6a]C[5a])2(CCHH)2	C(SiN[5a]2C)(CH3)(H)2	C(CSiHH)(H)3	Si(N[5a]C[5a,6a]C[5a])2(CCHH)2	112.8600	0.403	2	112.8600	0.162	2	112.8600	0.162	2	112.8600	0.162	2	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:1:1:1:	3:4:1:1:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:Br-1:H-1:	C(SiN[6]BrH)(CH3)(H)2	C(CSiHH)(H)3	Si(N[6]C[6]2)(CCHH)(Br)(H)	C(SiN[6]BrH)(CH3)(H)2	C(CSiHH)(H)3	Si(N[6]C[6]2)(CCHH)(Br)(H)	122.7290	0.000	1	122.7290	0.000	1	122.7290	0.000	1	122.7290	0.000	1	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:1:1:1:	3:4:4:1:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:H-1:	C(SiCCH)(CH3)(H)2	C(CSiHH)(H)3	Si(CC[6a]C)(CCHH)2(H)	C(SiCCH)(CH3)(H)2	C(CSiHH)(H)3	Si(CC[6a]C)(CCHH)2(H)	113.1225	0.206	2	113.1225	0.042	2	113.1225	0.042	2	113.1225	0.042	2	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:1:1:1:	3:4:4:3:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C(SiC[6a]CC)(CH3)(H)2	C(CSiHH)(H)3	Si(C[6a]C[6a]2)(CCHH)2(CCH)	C(SiC[6a]CC)(CH3)(H)2	C(CSiHH)(H)3	Si(C[6a]C[6a]2)(CCHH)2(CCH)	114.1912	0.563	4	114.1912	0.317	4	114.1912	0.317	4	114.1912	0.317	4	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:1:1:1:	3:4:4:4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C(SiC3)(CH3)(H)2	C(CSiHH)(H)3	Si(CC[5]H)(CCHH)3	C(SiC3)(CH3)(H)2	C(CSiHH)(H)3	Si(CC[5]H)(CCHH)3	114.8353	0.370	3	114.8353	0.137	3	114.7529	1.405	11	115.1283	4.035	35	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:1:1:1:	3:4:4:4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C(SiC3)(CH3)(H)2	C(CSiHH)(H)3	Si(CC[5]O)(CCHH)3	C(SiC3)(CH3)(H)2	C(CSiHH)(H)3	Si(CC[5]O)(CCHH)3	113.6750	1.656	2	113.6750	2.742	2	114.7529	1.405	11	115.1283	4.035	35	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:1:1:1:	3:4:4:4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C(SiC3)(CH3)(H)2	C(CSiHH)(H)3	Si(CC[6a]C)(CCHH)3	C(SiC3)(CH3)(H)2	C(CSiHH)(H)3	Si(CC[6a]C)(CCHH)3	115.0710	1.272	6	115.0710	1.617	6	114.7529	1.405	11	115.1283	4.035	35	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:1:1:1:	3:4:4:4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:C-4:	C(SiC[5]CC)(CH3)(H)2	C(CSiHH)(H)3	Si(C[5]C[5,6]C[5])(CCHH)3	C(SiC[5]CC)(CH3)(H)2	C(CSiHH)(H)3	Si(C[5]C[5,6]C[5])(CCHH)3	117.8583	2.122	3	117.8583	4.503	3	117.8583	4.503	3	115.1283	4.035	35	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:1:1:1:	3:4:4:4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:C-4:	C(SiC[5a]CC)(CH3)(H)2	C(CSiHH)(H)3	Si(C[5a]C[5a]N[5a])(CCHH)3	C(SiC[5a]CC)(CH3)(H)2	C(CSiHH)(H)3	Si(C[5a]C[5a]N[5a])(CCHH)3	114.9505	1.907	2	114.9505	3.637	2	114.9505	3.637	2	115.1283	4.035	35	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:1:1:1:	3:4:4:4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C(SiC[6a]CC)(CH3)(H)2	C(CSiHH)(H)3	Si(C[6a]C[6a]2)(CCHH)3	C(SiC[6a]CC)(CH3)(H)2	C(CSiHH)(H)3	Si(C[6a]C[6a]2)(CCHH)3	113.9453	1.121	3	113.9453	1.257	3	114.5177	2.124	9	115.1283	4.035	35	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:1:1:1:	3:4:4:4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C(SiC[6a]CC)(CH3)(H)2	C(CSiHH)(H)3	Si(C[6a]C[6a]N[6a])(CCHH)3	C(SiC[6a]CC)(CH3)(H)2	C(CSiHH)(H)3	Si(C[6a]C[6a]N[6a])(CCHH)3	114.8038	1.613	6	114.8038	2.601	6	114.5177	2.124	9	115.1283	4.035	35	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:1:1:1:	3:4:4:4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C(SiCCN)(CH3)(H)2	C(CSiHH)(H)3	Si(NC[6a]Sb)(CCHH)3	C(SiCCN)(CH3)(H)2	C(CSiHH)(H)3	Si(NC[6a]Sb)(CCHH)3	114.6112	2.244	6	114.6112	5.036	6	114.6112	5.036	6	115.1283	4.035	35	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:1:1:1:	3:4:4:4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	S-3:C-4:C-4:C-4:	C(SiCCS)(CH3)(H)2	C(CSiHH)(H)3	Si(SC[6a]Ru)(CCHH)(CH3)2	C(SiCCS)(CH3)(H)2	C(CSiHH)(H)3	Si(SC[6a]Ru)(CCHH)(CH3)2	116.4330	0.000	1	116.4330	0.000	1	116.4330	0.000	1	115.1283	4.035	35	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:1:1:1:	3:4:4:4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	Si[6]-3:C-4:C-4:C-4:	C(SiSi[6]CC)(CH3)(H)2	C(CSiHH)(H)3	Si(Si[6]Si[6]C[6])(CCHH)3	C(SiSi[6]CC)(CH3)(H)2	C(CSiHH)(H)3	Si(Si[6]Si[6]C[6])(CCHH)3	116.3250	4.085	3	116.3250	16.691	3	116.3250	16.691	3	115.1283	4.035	35	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:1:1:1:	4:2:4:4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:N-2:C-4:Si-4:	C(SiSiCN)(CH3)(H)2	C(CSiHH)(H)3	Si(CN[5]HH)(NC[5])(CCHH)(SiC3)	C(SiSiCN)(CH3)(H)2	C(CSiHH)(H)3	Si(CN[5]HH)(NC[5])(CCHH)(SiC3)	115.5370	0.000	1	115.5370	0.000	1	115.5370	0.000	1	115.5370	0.000	1	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:1:1:1:	4:3:4:4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C-4:C-4:	C(SiC[6a]C[5]C)(CH3)(H)2	C(CSiHH)(H)3	Si(C[5]C[5,5]C[5]Ti)(C[6a]C[6a]2)(CCHH)2	C(SiC[6a]C[5]C)(CH3)(H)2	C(CSiHH)(H)3	Si(C[5]C[5,5]C[5]Ti)(C[6a]C[6a]2)(CCHH)2	114.6810	0.810	2	114.6810	0.657	2	114.6810	0.657	2	114.6810	0.657	2	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:1:1:1:	4:4:2:2:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:O-2:	C(SiCOO)(CH3)(H)2	C(CSiHH)(H)3	Si(CCHH)2(OC)2	C(SiCOO)(CH3)(H)2	C(CSiHH)(H)3	Si(CCHH)2(OC)2	112.9280	0.291	2	112.9280	0.085	2	112.9280	0.085	2	112.9280	0.085	2	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:1:1:1:	4:4:3:1:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C(SiC[6]CH)(CH3)(H)2	C(CSiHH)(H)3	Si(C[6]C[6]2H)(CCHH)(CCH)(H)	C(SiC[6]CH)(CH3)(H)2	C(CSiHH)(H)3	Si(C[6]C[6]2H)(CCHH)(CCH)(H)	113.9140	0.000	1	113.9140	0.000	1	113.9140	0.000	1	113.9140	0.000	1	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:1:1:1:	4:4:4:1:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C(SiCCH)(CH3)(H)2	C(CSiHH)(H)3	Si(CCHH)3(H)	C(SiCCH)(CH3)(H)2	C(CSiHH)(H)3	Si(CCHH)3(H)	115.9470	2.996	3	115.9470	8.977	3	115.9470	8.977	3	114.3180	6.434	7	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:1:1:1:	4:4:4:1:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C(SiC[6]CH)(CH3)(H)2	C(CSiHH)(H)3	Si(C[6]C[6]2H)(CCHH)2(H)	C(SiC[6]CH)(CH3)(H)2	C(CSiHH)(H)3	Si(C[6]C[6]2H)(CCHH)2(H)	113.0962	1.497	4	113.0962	2.240	4	113.0962	2.240	4	114.3180	6.434	7	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:1:1:1:	4:4:4:2:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-2:	C(SiC3)(CH3)(H)2	C(CSiHH)(H)3	Si(CCHH)3(CC)	C(SiC3)(CH3)(H)2	C(CSiHH)(H)3	Si(CCHH)3(CC)	115.3802	1.726	26	115.3802	2.979	26	115.3802	2.979	26	115.2079	3.913	65	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:1:1:1:	4:4:4:2:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-2:	C(SiCCH)(CH3)(H)2	C(CSiHH)(H)3	Si(CCHH)3(HB)	C(SiCCH)(CH3)(H)2	C(CSiHH)(H)3	Si(CCHH)3(HB)	118.0350	2.595	3	118.0350	6.735	3	118.0350	6.735	3	115.2079	3.913	65	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:1:1:1:	4:4:4:2:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-2:	C(SiCCN)(CH3)(H)2	C(CSiHH)(H)3	Si(CCHH)3(NC)	C(SiCCN)(CH3)(H)2	C(CSiHH)(H)3	Si(CCHH)3(NC)	115.9343	1.221	3	115.9343	1.491	3	115.9343	1.491	3	115.2079	3.913	65	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:1:1:1:	4:4:4:2:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C(SiCCO)(CH3)(H)2	C(CSiHH)(H)3	Si(CCHH)3(OC)	C(SiCCO)(CH3)(H)2	C(CSiHH)(H)3	Si(CCHH)3(OC)	114.7491	1.986	33	114.7491	3.945	33	114.7491	3.945	33	115.2079	3.913	65	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:1:1:1:	4:4:4:3:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C(SiC3)(CH3)(H)2	C(CSiHH)(H)3	Si(CCCO)(CCHH)2(CCH)	C(SiC3)(CH3)(H)2	C(CSiHH)(H)3	Si(CCCO)(CCHH)2(CCH)	119.8300	1.403	2	119.8300	1.968	2	115.4421	11.603	8	115.7208	8.931	11	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:1:1:1:	4:4:4:3:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C(SiC3)(CH3)(H)2	C(CSiHH)(H)3	Si(CCHH)3(CSiC)	C(SiC3)(CH3)(H)2	C(CSiHH)(H)3	Si(CCHH)3(CSiC)	113.9795	2.363	6	113.9795	5.582	6	115.4421	11.603	8	115.7208	8.931	11	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:1:1:1:	4:4:4:3:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C(SiCCN)(CH3)(H)2	C(CSiHH)(H)3	Si(CCHH)3(NCoN)	C(SiCCN)(CH3)(H)2	C(CSiHH)(H)3	Si(CCHH)3(NCoN)	116.4640	1.705	3	116.4640	2.906	3	116.4640	2.906	3	115.7208	8.931	11	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:1:1:1:	4:4:4:4:	Si-4:C-4:F-1:F-1:	C-4:F-1:F-1:F-1:	C-4:C-4:C-4:C-4:	C(SiC3)(CF3)(F)2	C(CSiFF)(F)3	Si(CCFF)3(CCHH)	C(SiC3)(CF3)(F)2	C(CSiFF)(F)3	Si(CCFF)3(CCHH)	119.8267	1.601	3	119.8267	2.564	3	119.6490	3.246	9	115.8031	4.996	99	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:1:1:1:	4:4:4:4:	Si-4:C-4:F-1:F-1:	C-4:F-1:F-1:F-1:	C-4:C-4:C-4:C-4:	C(SiC3)(CF3)(F)2	C(CSiFF)(F)3	Si(CCFF)3(CHHN)	C(SiC3)(CF3)(F)2	C(CSiFF)(F)3	Si(CCFF)3(CHHN)	120.6853	2.056	3	120.6853	4.225	3	119.6490	3.246	9	115.8031	4.996	99	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:1:1:1:	4:4:4:4:	Si-4:C-4:F-1:F-1:	C-4:F-1:F-1:F-1:	C-4:C-4:C-4:C-4:	C(SiC3)(CF3)(F)2	C(CSiFF)(F)3	Si(CCFF)3(CHHO)	C(SiC3)(CF3)(F)2	C(CSiFF)(F)3	Si(CCFF)3(CHHO)	118.4350	1.524	3	118.4350	2.324	3	119.6490	3.246	9	115.8031	4.996	99	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:1:1:1:	4:4:4:4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(SiC3)(CH3)(H)2	C(CSiHH)(H)3	Si(CCFF)3(CCHH)	C(SiC3)(CH3)(H)2	C(CSiHH)(H)3	Si(CCFF)3(CCHH)	118.5390	0.000	1	118.5390	0.000	1	115.2313	1.948	48	115.8031	4.996	99	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:1:1:1:	4:4:4:4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(SiC3)(CH3)(H)2	C(CSiHH)(H)3	Si(CCHH)4	C(SiC3)(CH3)(H)2	C(CSiHH)(H)3	Si(CCHH)4	115.3655	1.452	20	115.3655	2.108	20	115.2313	1.948	48	115.8031	4.996	99	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:1:1:1:	4:4:4:4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(SiC3)(CH3)(H)2	C(CSiHH)(H)3	Si(CC[6]SiH)(CCHH)3	C(SiC3)(CH3)(H)2	C(CSiHH)(H)3	Si(CC[6]SiH)(CCHH)3	115.6683	1.597	6	115.6683	2.550	6	115.2313	1.948	48	115.8031	4.996	99	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:1:1:1:	4:4:4:4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(SiC3)(CH3)(H)2	C(CSiHH)(H)3	Si(CC[6a]CH)(CCHH)3	C(SiC3)(CH3)(H)2	C(CSiHH)(H)3	Si(CC[6a]CH)(CCHH)3	115.1553	1.105	3	115.1553	1.220	3	115.2313	1.948	48	115.8031	4.996	99	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:1:1:1:	4:4:4:4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(SiC3)(CH3)(H)2	C(CSiHH)(H)3	Si(CRuCC)(CCHH)3	C(SiC3)(CH3)(H)2	C(CSiHH)(H)3	Si(CRuCC)(CCHH)3	114.7653	1.083	18	114.7653	1.174	18	115.2313	1.948	48	115.8031	4.996	99	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:1:1:1:	4:4:4:4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:P-4:	C(SiCCP)(CH3)(H)2	C(CSiHH)(H)3	Si(CCHH)3(PC3)	C(SiCCP)(CH3)(H)2	C(CSiHH)(H)3	Si(CCHH)3(PC3)	117.2203	3.779	3	117.2203	14.282	3	117.2203	14.282	3	115.8031	4.996	99	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:1:1:1:	4:4:4:4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C(SiC[5]CC)(CH3)(H)2	C(CSiHH)(H)3	Si(C[5]C[5,6]C[5]H)(CCHH)3	C(SiC[5]CC)(CH3)(H)2	C(CSiHH)(H)3	Si(C[5]C[5,6]C[5]H)(CCHH)3	114.1327	4.436	3	114.1327	19.676	3	115.5782	5.355	33	115.8031	4.996	99	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:1:1:1:	4:4:4:4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C(SiC[5]CC)(CH3)(H)2	C(CSiHH)(H)3	Si(C[5]C[5,6a]C[5]H)(CCHH)3	C(SiC[5]CC)(CH3)(H)2	C(CSiHH)(H)3	Si(C[5]C[5,6a]C[5]H)(CCHH)3	114.8753	1.522	12	114.8753	2.316	12	115.5782	5.355	33	115.8031	4.996	99	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:1:1:1:	4:4:4:4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C(SiC[5]CC)(CH3)(H)2	C(CSiHH)(H)3	Si(C[5]C[5]2O)(CCHH)3	C(SiC[5]CC)(CH3)(H)2	C(CSiHH)(H)3	Si(C[5]C[5]2O)(CCHH)3	115.6607	1.365	3	115.6607	1.862	3	115.5782	5.355	33	115.8031	4.996	99	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:1:1:1:	4:4:4:4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C(SiC[5]CC)(CH3)(H)2	C(CSiHH)(H)3	Si(C[5]C[6a]B[5]C[5])(CCHH)3	C(SiC[5]CC)(CH3)(H)2	C(CSiHH)(H)3	Si(C[5]C[6a]B[5]C[5])(CCHH)3	116.4131	2.393	15	116.4131	5.724	15	115.5782	5.355	33	115.8031	4.996	99	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:1:1:1:	4:4:4:4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C(SiC[5]2C)(CH3)(H)2	C(CSiHH)(H)3	Si(C[5]C[5,6a]2H)2(CCHH)2	C(SiC[5]2C)(CH3)(H)2	C(CSiHH)(H)3	Si(C[5]C[5,6a]2H)2(CCHH)2	115.0040	0.000	1	115.0040	0.000	1	115.8477	2.398	3	115.8031	4.996	99	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:1:1:1:	4:4:4:4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C(SiC[5]2C)(CH3)(H)2	C(CSiHH)(H)3	Si(C[5]C[5]2Fe)2(CCHH)2	C(SiC[5]2C)(CH3)(H)2	C(CSiHH)(H)3	Si(C[5]C[5]2Fe)2(CCHH)2	116.2695	1.931	2	116.2695	3.729	2	115.8477	2.398	3	115.8031	4.996	99	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:1:1:1:	4:4:4:4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C(SiCCP)(CH3)(H)2	C(CSiHH)(H)3	Si(PC[6a]BH)(CCHH)3	C(SiCCP)(CH3)(H)2	C(CSiHH)(H)3	Si(PC[6a]BH)(CCHH)3	114.4270	1.613	3	114.4270	2.601	3	114.4270	2.601	3	115.8031	4.996	99	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:1:1:1:	5:3:4:4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[3x3,4,3x5,14x6]-5:C-3:C-4:C-4:	C(SiC[3x3,4,3x5,14x6]CC)(CH3)(H)2	C(CSiHH)(H)3	Si(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CC[6a]C)(CCHH)2	C(SiC[3x3,4,3x5,14x6]CC)(CH3)(H)2	C(CSiHH)(H)3	Si(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CC[6a]C)(CCHH)2	117.5665	0.631	2	117.5665	0.399	2	117.5665	0.399	2	117.5665	0.399	2	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:1:1:1:	5:4:4:3:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[3x3,4,3x5,14x6]-5:C-4:C-4:C-3:	C(SiC[3x3,4,3x5,14x6]CC)(CH3)(H)2	C(CSiHH)(H)3	Si(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCHH)2(CCH)	C(SiC[3x3,4,3x5,14x6]CC)(CH3)(H)2	C(CSiHH)(H)3	Si(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCHH)2(CCH)	116.4060	1.393	2	116.4060	1.940	2	116.4060	1.940	2	116.4060	1.940	2	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:2:1:1:	3:4:4:4:	Si-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C(SiC[6a]CC)(CHHO)(H)2	C(CSiHH)(OC)(H)2	Si(C[6a]C[6a,6a]C[6a])(CCHH)(CH3)2	C(SiC[6a]CC)(CHHO)(H)2	C(CSiHH)(OC)(H)2	Si(C[6a]C[6a,6a]C[6a])(CCHH)(CH3)2	114.8707	2.878	3	114.8707	8.281	3	114.8707	8.281	3	114.8707	8.281	3	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:2:1:1:	4:2:2:2:	C-4:Si-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:O-2:O-2:O-2:	C(CCHH)(SiO3)(H)2	C(CSiHH)(CN)(H)2	Si(CCHH)(OSi)3	C(CCHH)(SiO3)(H)2	C(CSiHH)(CN)(H)2	Si(CCHH)(OSi)3	114.7925	1.585	4	114.7925	2.511	4	114.7925	2.511	4	114.7925	2.511	4	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:2:1:1:	4:4:4:4:	C-4:Si-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CHHO)(SiC3)(H)2	C(CSiHH)(OC)(H)2	Si(CCHH)(CH3)3	C(CHHO)(SiC3)(H)2	C(CSiHH)(OC)(H)2	Si(CCHH)(CH3)3	115.2733	1.624	10	115.2733	2.637	10	115.6626	2.462	16	115.5830	2.416	17	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:2:1:1:	4:4:4:4:	C-4:Si-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CHHO)(SiC3)(H)2	C(CSiHH)(OC[5])(H)2	Si(CCHH)(CH3)3	C(CHHO)(SiC3)(H)2	C(CSiHH)(OC[5])(H)2	Si(CCHH)(CH3)3	114.9630	0.000	2	114.9630	0.000	2	115.6626	2.462	16	115.5830	2.416	17	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:2:1:1:	4:4:4:4:	C-4:Si-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CHHO)(SiC3)(H)2	C(CSiHH)(OC[6])(H)2	Si(CCHH)(CH3)3	C(CHHO)(SiC3)(H)2	C(CSiHH)(OC[6])(H)2	Si(CCHH)(CH3)3	116.9857	1.109	4	116.9857	1.230	4	115.6626	2.462	16	115.5830	2.416	17	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:2:1:1:	4:4:4:4:	C-4:Si-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CHHS)(SiC3)(H)2	C(CSiHH)(SP)(H)2	Si(CCHH)(CH3)3	C(CHHS)(SiC3)(H)2	C(CSiHH)(SP)(H)2	Si(CCHH)(CH3)3	114.3090	0.000	1	114.3090	0.000	1	114.3090	0.000	1	115.5830	2.416	17	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:3:1:1:	3:4:4:4:	Si-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C(SiC[6a]CC)(CCHH)(H)2	C(CSiHH)(CNO)(H)2	Si(C[6a]C[6a]2)(CCHH)3	C(SiC[6a]CC)(CCHH)(H)2	C(CSiHH)(CNO)(H)2	Si(C[6a]C[6a]2)(CCHH)3	113.0405	0.269	2	113.0405	0.073	2	113.0405	0.073	2	113.9095	1.451	4	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:3:1:1:	3:4:4:4:	Si-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C(SiC[6a]CC)(CHHN)(H)2	C(CSiHH)(NCH)(H)2	Si(C[6a]C[6a]2)(CCHH)3	C(SiC[6a]CC)(CHHN)(H)2	C(CSiHH)(NCH)(H)2	Si(C[6a]C[6a]2)(CCHH)3	114.7785	1.122	2	114.7785	1.259	2	114.7785	1.259	2	113.9095	1.451	4	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:3:1:1:	4:2:2:2:	C-4:Si-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:O-2:O-2:O-2:	C(CCHH)(SiO3)(H)2	C(CSiHH)(COO)(H)2	Si(CCHH)(OSi)3	C(CCHH)(SiO3)(H)2	C(CSiHH)(COO)(H)2	Si(CCHH)(OSi)3	114.8725	1.400	4	114.8725	1.960	4	114.8725	1.960	4	114.8725	1.960	4	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:3:1:1:	4:4:4:4:	C-4:Si-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(SiC3)(H)2	C(CSiHH)(CRhO)(H)2	Si(CCHH)(CH3)3	C(CCHH)(SiC3)(H)2	C(CSiHH)(CRhO)(H)2	Si(CCHH)(CH3)3	111.9590	0.000	1	111.9590	0.000	1	111.9590	0.000	1	111.9590	0.000	1	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:3:4:1:	4:3:3:4:	Si-4:C-4:H-1:H-1:	C[5,6,6]-4:C[6a]-3:C-4:H-1:	C[5,6,6]-4:C[6a]-3:C[6a]-3: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)	Si(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)2(CCHH)	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)	Si(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)2(CCHH)	131.2080	0.000	1	131.2080	0.000	1	131.2080	0.000	1	131.2080	0.000	1	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	2:2:4:4:	Si-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	O-2:O-2:C-4:C-4:	C(SiCOO)(CCHH)(H)2	C(CSiHH)(CCHH)(H)2	Si(OC[6a])2(CCHH)2	C(SiCOO)(CCHH)(H)2	C(CSiHH)(CCHH)(H)2	Si(OC[6a])2(CCHH)2	116.1700	3.072	2	116.1700	9.435	2	116.1700	9.435	2	116.1700	9.435	2	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	2:4:4:4:	Si-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	O-2:C-4:C-4:C-4:	C(SiCCO)(CCHH)(H)2	C(CSiHH)(CCHH)(H)2	Si(OSi[4x6])(CCHH)3	C(SiCCO)(CCHH)(H)2	C(CSiHH)(CCHH)(H)2	Si(OSi[4x6])(CCHH)3	115.3577	2.161	3	115.3577	4.670	3	116.6018	4.320	10	116.6018	4.320	10	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	2:4:4:4:	Si-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	O-2:C-4:C-4:C-4:	C(SiCCO)(CCHH)(H)2	C(CSiHH)(CH3)(H)2	Si(OSi[4x6])(CCHH)(CH3)2	C(SiCCO)(CCHH)(H)2	C(CSiHH)(CH3)(H)2	Si(OSi[4x6])(CCHH)(CH3)2	116.0660	0.000	1	116.0660	0.000	1	116.6018	4.320	10	116.6018	4.320	10	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	2:4:4:4:	Si-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	O-2:C-4:C-4:C-4:	C(SiCCO)(CCHH)(H)2	C(CSiHH)(CH3)(H)2	Si(OSi[4x6])(CCHH)3	C(SiCCO)(CCHH)(H)2	C(CSiHH)(CH3)(H)2	Si(OSi[4x6])(CCHH)3	117.3132	2.077	6	117.3132	4.315	6	116.6018	4.320	10	116.6018	4.320	10	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	3:3:3:4:	Si-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(SiC[6a]3)(CCHH)(H)2	C(CC[6a]HH)(CSiHH)(H)2	Si(C[6a]C[6a]2)3(CCHH)	C(SiC[6a]3)(CCHH)(H)2	C(CC[6a]HH)(CSiHH)(H)2	Si(C[6a]C[6a]2)3(CCHH)	117.0340	0.000	1	117.0340	0.000	1	118.2100	2.766	2	118.2100	2.766	2	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	3:3:3:4:	Si-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(SiC[6a]3)(CCHH)(H)2	C(CSiHH)(CCHH)(H)2	Si(C[6a]C[6a]2)3(CCHH)	C(SiC[6a]3)(CCHH)(H)2	C(CSiHH)(CCHH)(H)2	Si(C[6a]C[6a]2)3(CCHH)	119.3860	0.000	1	119.3860	0.000	1	118.2100	2.766	2	118.2100	2.766	2	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	3:3:4:4:	Si-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C(SiC[6a]2C)(CCHH)(H)2	C(CN[5]HH)(CSiHH)(H)2	Si(C[6a]C[6a]2)2(CCHH)(CH3)	C(SiC[6a]2C)(CCHH)(H)2	C(CN[5]HH)(CSiHH)(H)2	Si(C[6a]C[6a]2)2(CCHH)(CH3)	114.3670	0.000	1	114.3670	0.000	1	114.3670	0.000	1	114.7985	0.686	6	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	3:3:4:4:	Si-4:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C(SiC[6a]2C)(CSiHH)(H)2	C(CSiHH)(SiCCN)(H)2	Si(C[6a]C[6a]2)2(CCHH)(CH3)	C(SiC[6a]2C)(CSiHH)(H)2	C(CSiHH)(SiCCN)(H)2	Si(C[6a]C[6a]2)2(CCHH)(CH3)	115.0130	1.105	3	115.0130	1.221	3	114.8848	0.801	5	114.7985	0.686	6	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	3:3:4:4:	Si-4:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C(SiC[6a]2C)(CSiHH)(H)2	C(CSiHH)(SiF3)(H)2	Si(C[6a]C[6a]2)2(CCHH)2	C(SiC[6a]2C)(CSiHH)(H)2	C(CSiHH)(SiF3)(H)2	Si(C[6a]C[6a]2)2(CCHH)2	114.6925	0.800	2	114.6925	0.640	2	114.8848	0.801	5	114.7985	0.686	6	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	3:4:1:1:	Si-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(SiHHN)(CCHH)(H)2	C(CSiHH)(CCHH)(H)2	Si(NNb[6]C)(CCHH)(H)2	C(SiHHN)(CCHH)(H)2	C(CSiHH)(CCHH)(H)2	Si(NNb[6]C)(CCHH)(H)2	113.1860	0.000	1	113.1860	0.000	1	113.1860	0.000	1	111.9395	3.108	2	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	3:4:1:1:	Si-4:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	N[5]-3:C-4:O-1:O-1:	C(SiN[5]OO)(CHHS)(H)2	C(CSiHH)(SC3)(H)2	Si(N[5]C[5]2)(CCHH)(O)2	C(SiN[5]OO)(CHHS)(H)2	C(CSiHH)(SC3)(H)2	Si(N[5]C[5]2)(CCHH)(O)2	110.6930	0.000	1	110.6930	0.000	1	110.6930	0.000	1	111.9395	3.108	2	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	3:4:4:4:	Si-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C(SiC[6a]CC)(CCHH)(H)2	C(CSiHH)(CCHH)(H)2	Si(C[6a]C[6a]2)(CCHH)(CH3)2	C(SiC[6a]CC)(CCHH)(H)2	C(CSiHH)(CCHH)(H)2	Si(C[6a]C[6a]2)(CCHH)(CH3)2	115.1887	1.466	3	115.1887	2.148	3	115.7216	2.366	14	115.3522	2.668	27	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	3:4:4:4:	Si-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C(SiC[6a]CC)(CCHH)(H)2	C(CSiHH)(CCHH)(H)2	Si(C[6a]C[6a]2)(CCHH)3	C(SiC[6a]CC)(CCHH)(H)2	C(CSiHH)(CCHH)(H)2	Si(C[6a]C[6a]2)(CCHH)3	115.7052	1.734	9	115.7052	3.008	9	115.7216	2.366	14	115.3522	2.668	27	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	3:4:4:4:	Si-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C(SiC[6a]CC)(CCHH)(H)2	C(CSiHH)(CH3)(H)2	Si(C[6a]C[6a]2)(CCHH)3	C(SiC[6a]CC)(CCHH)(H)2	C(CSiHH)(CH3)(H)2	Si(C[6a]C[6a]2)(CCHH)3	116.5945	0.129	2	116.5945	0.017	2	115.7216	2.366	14	115.3522	2.668	27	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	3:4:4:4:	Si-4:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C(SiC[6a]CC)(CSiHH)(H)2	C(CSiHH)(SiCOO)(H)2	Si(C[6a]C[6a]2)(CCHH)(CH3)2	C(SiC[6a]CC)(CSiHH)(H)2	C(CSiHH)(SiCOO)(H)2	Si(C[6a]C[6a]2)(CCHH)(CH3)2	114.7050	0.000	1	114.7050	0.000	1	114.7050	0.000	1	115.3522	2.668	27	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	3:4:4:4:	Si-4:C-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C[5a]-3:C-4:C-4:C-4:	C(SiC[5a]CC)(CSiHH)(H)2	C(SiC[5a]CC)(CSiHH)(H)2	Si(C[5a]C[5a,6]S[5a])(CCHH)(CH3)2	C(SiC[5a]CC)(CSiHH)(H)2	C(SiC[5a]CC)(CSiHH)(H)2	Si(C[5a]C[5a,6]S[5a])(CCHH)(CH3)2	113.6415	1.030	2	113.6415	1.061	2	113.6415	1.061	2	115.3522	2.668	27	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	3:4:4:4:	Si-4:C-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C[6]-3:C-4:C-4:C-4:	C(SiC[6]CC)(CSiHH)(H)2	C(SiC[6]CC)(CSiHH)(H)2	Si(C[6]C[6]2)(CCHH)(CH3)2	C(SiC[6]CC)(CSiHH)(H)2	C(SiC[6]CC)(CSiHH)(H)2	Si(C[6]C[6]2)(CCHH)(CH3)2	114.3735	1.061	2	114.3735	1.127	2	114.3735	1.127	2	115.3522	2.668	27	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	3:4:4:4:	Si-4:C-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C(SiC[6a]CC)(CSiHH)(H)2	C(SiC[6a]CC)(CSiHH)(H)2	Si(C[6a]C[6a]2)(CCCH)(CCHH)(CH3)	C(SiC[6a]CC)(CSiHH)(H)2	C(SiC[6a]CC)(CSiHH)(H)2	Si(C[6a]C[6a]2)(CCCH)(CCHH)(CH3)	115.3935	2.285	6	115.3935	5.222	6	115.3935	5.222	6	115.3522	2.668	27	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	3:4:4:4:	Si-4:C-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	P[5]-3:C-4:C-4:C-4:	C(SiP[5]CC)(CSiHH)(H)2	C(SiP[5]CC)(CSiHH)(H)2	Si(P[5]Si[5]2)(CCHH)(CH3)2	C(SiP[5]CC)(CSiHH)(H)2	C(SiP[5]CC)(CSiHH)(H)2	Si(P[5]Si[5]2)(CCHH)(CH3)2	115.6560	0.130	2	115.6560	0.017	2	115.6560	0.017	2	115.3522	2.668	27	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:Si-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C(CSiHH)(SiCl3)(H)2	C(CSiHH)(SiCl3)(H)2	Si(CCHH)(Cl)3	C(CSiHH)(SiCl3)(H)2	C(CSiHH)(SiCl3)(H)2	Si(CCHH)(Cl)3	113.9200	0.000	1	113.9200	0.000	1	113.9200	0.000	1	112.6568	1.819	4	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:Si-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CSiHH)(SiF3)(H)2	C(SiC[6a]2C)(CSiHH)(H)2	Si(CCHH)(F)3	C(CSiHH)(SiF3)(H)2	C(SiC[6a]2C)(CSiHH)(H)2	Si(CCHH)(F)3	111.5725	0.831	2	111.5725	0.690	2	111.5725	0.690	2	112.6568	1.819	4	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	4:1:1:1:	Si-4:C-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C(SiBrHH)(CSiHH)(H)2	C(SiBrHH)(CSiHH)(H)2	Si(CCHH)(Br)(H)2	C(SiBrHH)(CSiHH)(H)2	C(SiBrHH)(CSiHH)(H)2	Si(CCHH)(Br)(H)2	113.5620	0.000	1	113.5620	0.000	1	113.5620	0.000	1	112.6568	1.819	4	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	4:2:2:2:	C-4:Si-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:O-2:O-2:	C(CCHH)(SiO3)(H)2	C(CN[5]HH)(CSiHH)(H)2	Si(CCHH)(OC)3	C(CCHH)(SiO3)(H)2	C(CN[5]HH)(CSiHH)(H)2	Si(CCHH)(OC)3	114.8620	2.360	3	114.8620	5.571	3	114.3709	3.674	63	114.3487	3.647	64	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	4:2:2:2:	C-4:Si-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:O-2:O-2:	C(CCHH)(SiO3)(H)2	C(CN[5a]HH)(CSiHH)(H)2	Si(CCHH)(OC)3	C(CCHH)(SiO3)(H)2	C(CN[5a]HH)(CSiHH)(H)2	Si(CCHH)(OC)3	115.9300	2.238	3	115.9300	5.007	3	114.3709	3.674	63	114.3487	3.647	64	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	4:2:2:2:	C-4:Si-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:O-2:O-2:	C(CCHH)(SiO3)(H)2	C(CSiHH)(CC3)(H)2	Si(CCHH)(OSi)3	C(CCHH)(SiO3)(H)2	C(CSiHH)(CC3)(H)2	Si(CCHH)(OSi)3	114.0136	1.511	16	114.0136	2.284	16	114.3709	3.674	63	114.3487	3.647	64	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	4:2:2:2:	C-4:Si-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:O-2:O-2:	C(CCHH)(SiO3)(H)2	C(CSiHH)(CCHH)(H)2	Si(CCHH)(OSi)3	C(CCHH)(SiO3)(H)2	C(CSiHH)(CCHH)(H)2	Si(CCHH)(OSi)3	114.9392	2.303	20	114.9392	5.305	20	114.3709	3.674	63	114.3487	3.647	64	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	4:2:2:2:	C-4:Si-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:O-2:O-2:	C(CCHH)(SiO3)(H)2	C(CSiHH)(CF3)(H)2	Si(CCHH)(OSi)3	C(CCHH)(SiO3)(H)2	C(CSiHH)(CF3)(H)2	Si(CCHH)(OSi)3	113.2632	1.982	8	113.2632	3.930	8	114.3709	3.674	63	114.3487	3.647	64	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	4:2:2:2:	C-4:Si-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:O-2:O-2:	C(CCHH)(SiO3)(H)2	C(CSiHH)(CHHI)(H)2	Si(CCHH)(OSi)3	C(CCHH)(SiO3)(H)2	C(CSiHH)(CHHI)(H)2	Si(CCHH)(OSi)3	115.0837	1.008	3	115.0837	1.016	3	114.3709	3.674	63	114.3487	3.647	64	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	4:2:2:2:	C-4:Si-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:O-2:O-2:	C(CCHH)(SiO3)(H)2	C(CSiHH)(CHHN)(H)2	Si(CCHH)(OC)3	C(CCHH)(SiO3)(H)2	C(CSiHH)(CHHN)(H)2	Si(CCHH)(OC)3	114.7625	0.968	4	114.7625	0.937	4	114.3709	3.674	63	114.3487	3.647	64	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	4:2:2:2:	C-4:Si-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:O-2:O-2:	C(CCHH)(SiO3)(H)2	C(CSiHH)(CHHS)(H)2	Si(CCHH)(OC)3	C(CCHH)(SiO3)(H)2	C(CSiHH)(CHHS)(H)2	Si(CCHH)(OC)3	114.1665	0.814	2	114.1665	0.662	2	114.3709	3.674	63	114.3487	3.647	64	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	4:2:2:2:	C-4:Si-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:O-2:O-2:	C(CCHH)(SiO3)(H)2	C(CSiHH)(CHHS)(H)2	Si(CCHH)(OSi)3	C(CCHH)(SiO3)(H)2	C(CSiHH)(CHHS)(H)2	Si(CCHH)(OSi)3	112.8115	0.290	4	112.8115	0.084	4	114.3709	3.674	63	114.3487	3.647	64	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	4:2:2:2:	C-4:Si-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:O-2:O-2:O-2:	C(CHHP)(SiO3)(H)2	C(PC[6a]2Cu)(CSiHH)(H)2	Si(CCHH)(OSi)(OH)2	C(CHHP)(SiO3)(H)2	C(PC[6a]2Cu)(CSiHH)(H)2	Si(CCHH)(OSi)(OH)2	112.9560	0.000	1	112.9560	0.000	1	112.9560	0.000	1	114.3487	3.647	64	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	4:4:1:1:	Si-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:Cl-1:Cl-1:	C(SiCl2C)(CCHH)(H)2	C(CSiHH)(CCHH)(H)2	Si(CCHH)2(Cl)2	C(SiCl2C)(CCHH)(H)2	C(CSiHH)(CCHH)(H)2	Si(CCHH)2(Cl)2	113.5625	0.545	2	113.5625	0.297	2	113.5625	0.297	2	113.5625	0.297	2	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	4:4:2:2:	C-4:Si-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:C-4:O-2:O-2:	C(CSiHH)(SiCOO)(H)2	C(SiC[6a]CC)(CSiHH)(H)2	Si(CCHH)(CH3)(OSi)2	C(CSiHH)(SiCOO)(H)2	C(SiC[6a]CC)(CSiHH)(H)2	Si(CCHH)(CH3)(OSi)2	113.4010	0.000	1	113.4010	0.000	1	113.4010	0.000	1	113.5471	7.503	8	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	4:4:2:2:	Si-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:O-2:	C(SiCOO)(CCHH)(H)2	C(CSiHH)(CHHN)(H)2	Si(CCHH)(CH3)(OSi)2	C(SiCOO)(CCHH)(H)2	C(CSiHH)(CHHN)(H)2	Si(CCHH)(CH3)(OSi)2	114.0890	1.566	3	114.0890	2.453	3	113.5680	8.750	7	113.5471	7.503	8	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	4:4:2:2:	Si-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:O-2:	C(SiCOO)(CCHH)(H)2	C(CSiHH)(CHHS)(H)2	Si(CCHH)2(OSi)2	C(SiCOO)(CCHH)(H)2	C(CSiHH)(CHHS)(H)2	Si(CCHH)2(OSi)2	113.1773	3.923	4	113.1773	15.389	4	113.5680	8.750	7	113.5471	7.503	8	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	4:4:3:4:	Si-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-3:C-4:	C(SiCCO)(CCHH)(H)2	C(CSiHH)(CHHP)(H)2	Si(CCHH)2(OIrH)(CH3)	C(SiCCO)(CCHH)(H)2	C(CSiHH)(CHHP)(H)2	Si(CCHH)2(OIrH)(CH3)	117.4160	0.520	2	117.4160	0.271	2	117.4160	0.271	2	117.4160	0.271	2	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	4:4:4:1:	Si-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(SiCCH)(CCHH)(H)2	C(CSiHH)(CHHP)(H)2	Si(CCHH)(CH3)2(H)	C(SiCCH)(CCHH)(H)2	C(CSiHH)(CHHP)(H)2	Si(CCHH)(CH3)2(H)	111.2230	0.000	1	111.2230	0.000	1	111.2230	0.000	1	111.2230	0.000	1	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	4:4:4:2:	C-4:Si-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-2:	C(CCHH)(SiC3)(H)2	C(CSiHH)(CCHH)(H)2	Si(CCCH)2(CCHH)(CC)	C(CCHH)(SiC3)(H)2	C(CSiHH)(CCHH)(H)2	Si(CCCH)2(CCHH)(CC)	116.9657	2.146	6	116.9657	4.606	6	116.9657	4.606	6	114.9414	3.761	43	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	4:4:4:2:	C-4:Si-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:C-4:C-4:C-2:	C(CSiHH)(SiC3)(H)2	C(CSiHH)(SiC3)(H)2	Si(CCHH)(CH3)2(CC)	C(CSiHH)(SiC3)(H)2	C(CSiHH)(SiC3)(H)2	Si(CCHH)(CH3)2(CC)	114.6870	0.922	2	114.6870	0.850	2	114.6870	0.850	2	114.9414	3.761	43	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	4:4:4:2:	C-4:Si-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C(CSiHH)(SiCCO)(H)2	C(CSiHH)(SiCCO)(H)2	Si(CCHH)(CH3)2(OO)	C(CSiHH)(SiCCO)(H)2	C(CSiHH)(SiCCO)(H)2	Si(CCHH)(CH3)2(OO)	113.8088	0.577	6	113.8088	0.333	6	113.8088	0.333	6	114.9414	3.761	43	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	4:4:4:2:	C-4:Si-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:C-4:C-4:N-2:	C(CSiHH)(SiCCN)(H)2	C(SiC[6a]2C)(CSiHH)(H)2	Si(CCHH)3(NC)	C(CSiHH)(SiCCN)(H)2	C(SiC[6a]2C)(CSiHH)(H)2	Si(CCHH)3(NC)	114.0757	1.293	3	114.0757	1.671	3	114.0757	1.671	3	114.9414	3.761	43	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	4:4:4:2:	C-4:Si-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C(CSiHH)(SiCCO)(H)2	C(SiC[5]CO)(CSiHH)(H)2	Si(CCHH)(CH3)2(OSi)	C(CSiHH)(SiCCO)(H)2	C(SiC[5]CO)(CSiHH)(H)2	Si(CCHH)(CH3)2(OSi)	115.4865	0.745	4	115.4865	0.556	4	115.4865	0.556	4	114.9414	3.761	43	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	4:4:4:2:	Si-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C(SiCCO)(CCHH)(H)2	C(CSiHH)(CHHN)(H)2	Si(CCHH)(CH3)2(OSi)	C(SiCCO)(CCHH)(H)2	C(CSiHH)(CHHN)(H)2	Si(CCHH)(CH3)2(OSi)	114.3115	0.374	2	114.3115	0.140	2	114.3115	0.140	2	114.9414	3.761	43	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	4:4:4:2:	Si-4:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C(SiCCO)(CHHS)(H)2	C(CSiHH)(SCOO)(H)2	Si(CCHH)(CH3)2(OSi)	C(SiCCO)(CHHS)(H)2	C(CSiHH)(SCOO)(H)2	Si(CCHH)(CH3)2(OSi)	114.1085	2.147	2	114.1085	4.612	2	114.1085	4.612	2	114.9414	3.761	43	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	4:4:4:2:	Si-4:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C(SiC[5]CO)(CSiHH)(H)2	C(CSiHH)(SiCCO)(H)2	Si(C[5]C[5]2Fe)(CCHH)(CH3)(OSi)	C(SiC[5]CO)(CSiHH)(H)2	C(CSiHH)(SiCCO)(H)2	Si(C[5]C[5]2Fe)(CCHH)(CH3)(OSi)	112.5287	0.799	3	112.5287	0.639	3	112.5287	0.639	3	114.9414	3.761	43	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	4:4:4:2:	Si-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C(SiCCO)(CHHP)(H)2	C(PC[6a]2Cu)(CSiHH)(H)2	Si(CCHH)(CH3)2(OSi)	C(SiCCO)(CHHP)(H)2	C(PC[6a]2Cu)(CSiHH)(H)2	Si(CCHH)(CH3)2(OSi)	114.6028	1.393	10	114.6028	1.941	10	114.6028	1.941	10	114.9414	3.761	43	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	4:4:4:2:	Si-4:C-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	Si-4:Si-4:C-4:O-2:	C(SiSi2O)(CSiHH)(H)2	C(SiSi2O)(CSiHH)(H)2	Si(SiSi2C)2(CCHH)(OAl)	C(SiSi2O)(CSiHH)(H)2	C(SiSi2O)(CSiHH)(H)2	Si(SiSi2C)2(CCHH)(OAl)	117.5850	2.395	4	117.5850	5.736	4	116.7666	7.651	5	114.9414	3.761	43	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	4:4:4:2:	Si-4:C-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	Si-4:Si-4:C-4:O-2:	C(SiSi2O)(CSiHH)(H)2	C(SiSi2O)(CSiHH)(H)2	Si(SiSi2C)2(CCHH)(OH)	C(SiSi2O)(CSiHH)(H)2	C(SiSi2O)(CSiHH)(H)2	Si(SiSi2C)2(CCHH)(OH)	113.4930	0.000	1	113.4930	0.000	1	116.7666	7.651	5	114.9414	3.761	43	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:Si-4:F-1:F-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(SiC3)(F)2	C(CSiFF)(CCHH)(H)2	Si(CCFF)(CH3)3	C(CCHH)(SiC3)(F)2	C(CSiFF)(CCHH)(H)2	Si(CCFF)(CH3)3	120.4220	0.000	1	120.4220	0.000	1	120.4220	0.000	1	116.5013	8.900	61	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:Si-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(SiC3)(H)2	C(CC[6]HH)(CSiHH)(H)2	Si(CCHH)(CH3)3	C(CCHH)(SiC3)(H)2	C(CC[6]HH)(CSiHH)(H)2	Si(CCHH)(CH3)3	113.2760	0.000	1	113.2760	0.000	1	114.6244	1.612	19	116.5013	8.900	61	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:Si-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(SiC3)(H)2	C(CN[5a]HH)(CSiHH)(H)2	Si(CCHH)(CH3)3	C(CCHH)(SiC3)(H)2	C(CN[5a]HH)(CSiHH)(H)2	Si(CCHH)(CH3)3	114.3540	0.000	1	114.3540	0.000	1	114.6244	1.612	19	116.5013	8.900	61	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:Si-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(SiC3)(H)2	C(CN[6]HH)(CSiHH)(H)2	Si(CCHH)(CH3)3	C(CCHH)(SiC3)(H)2	C(CN[6]HH)(CSiHH)(H)2	Si(CCHH)(CH3)3	113.4340	0.000	1	113.4340	0.000	1	114.6244	1.612	19	116.5013	8.900	61	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:Si-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(SiC3)(H)2	C(CSiHH)(CC3)(H)2	Si(CCHH)(CH3)3	C(CCHH)(SiC3)(H)2	C(CSiHH)(CC3)(H)2	Si(CCHH)(CH3)3	112.6790	0.000	1	112.6790	0.000	1	114.6244	1.612	19	116.5013	8.900	61	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:Si-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(SiC3)(H)2	C(CSiHH)(CCHH)(H)2	Si(CCHH)4	C(CCHH)(SiC3)(H)2	C(CSiHH)(CCHH)(H)2	Si(CCHH)4	114.7963	0.728	4	114.7963	0.529	4	114.6244	1.612	19	116.5013	8.900	61	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:Si-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(SiC3)(H)2	C(CSiHH)(CHHN)(H)2	Si(CCHH)(CH3)3	C(CCHH)(SiC3)(H)2	C(CSiHH)(CHHN)(H)2	Si(CCHH)(CH3)3	115.4565	0.803	2	115.4565	0.644	2	114.6244	1.612	19	116.5013	8.900	61	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:Si-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(SiC3)(H)2	C(CSiHH)(CHHN)(H)2	Si(CCHH)2(CH3)2	C(CCHH)(SiC3)(H)2	C(CSiHH)(CHHN)(H)2	Si(CCHH)2(CH3)2	115.9200	0.000	1	115.9200	0.000	1	114.6244	1.612	19	116.5013	8.900	61	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:Si-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(SiC3)(H)2	C(CSiHH)(CHHN)(H)2	Si(CCHH)4	C(CCHH)(SiC3)(H)2	C(CSiHH)(CHHN)(H)2	Si(CCHH)4	116.2390	0.000	1	116.2390	0.000	1	114.6244	1.612	19	116.5013	8.900	61	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:Si-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(SiC3)(H)2	C(CSiHH)(CHHO)(H)2	Si(CCHH)(CH3)3	C(CCHH)(SiC3)(H)2	C(CSiHH)(CHHO)(H)2	Si(CCHH)(CH3)3	114.9190	0.777	3	114.9190	0.603	3	114.6244	1.612	19	116.5013	8.900	61	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:Si-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(SiC3)(H)2	C(CSiHH)(CHHS)(H)2	Si(CCHH)2(CH3)2	C(CCHH)(SiC3)(H)2	C(CSiHH)(CHHS)(H)2	Si(CCHH)2(CH3)2	114.2765	1.996	4	114.2765	3.984	4	114.6244	1.612	19	116.5013	8.900	61	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:Si-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CHHN)(SiC3)(H)2	C(CSiHH)(NCHH)(H)2	Si(CCHH)2(CH3)2	C(CHHN)(SiC3)(H)2	C(CSiHH)(NCHH)(H)2	Si(CCHH)2(CH3)2	117.7960	0.000	1	117.7960	0.000	1	117.7960	0.000	1	116.5013	8.900	61	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:Si-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CHHS)(SiC3)(H)2	C(CSiHH)(SNOO)(H)2	Si(CCHH)(CH3)3	C(CHHS)(SiC3)(H)2	C(CSiHH)(SNOO)(H)2	Si(CCHH)(CH3)3	112.3533	1.677	3	112.3533	2.811	3	112.3533	2.811	3	116.5013	8.900	61	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:Si-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CSiHH)(SiC3)(H)2	C(CSiHH)(SiC3)(H)2	Si(CCHH)(CHHP)(CH3)2	C(CSiHH)(SiC3)(H)2	C(CSiHH)(SiC3)(H)2	Si(CCHH)(CHHP)(CH3)2	115.2520	0.000	1	115.2520	0.000	1	118.3070	12.040	10	116.5013	8.900	61	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:Si-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CSiHH)(SiC3)(H)2	C(CSiHH)(SiC3)(H)2	Si(CLiSi2)(CCHH)(CH3)2	C(CSiHH)(SiC3)(H)2	C(CSiHH)(SiC3)(H)2	Si(CLiSi2)(CCHH)(CH3)2	116.5205	0.371	2	116.5205	0.138	2	118.3070	12.040	10	116.5013	8.900	61	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:Si-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CSiHH)(SiC3)(H)2	C(CSiHH)(SiC3)(H)2	Si(CSi2Sn)(CCHH)(CH3)2	C(CSiHH)(SiC3)(H)2	C(CSiHH)(SiC3)(H)2	Si(CSi2Sn)(CCHH)(CH3)2	120.2173	3.074	6	120.2173	9.448	6	118.3070	12.040	10	116.5013	8.900	61	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:Si-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CSiHH)(SiC3)(H)2	C(CSiHH)(SiC3)(H)2	Si(CSiHP)(CCHH)(CH3)2	C(CSiHH)(SiC3)(H)2	C(CSiHH)(SiC3)(H)2	Si(CSiHP)(CCHH)(CH3)2	113.4730	0.000	1	113.4730	0.000	1	118.3070	12.040	10	116.5013	8.900	61	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:Si-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CC[5]HH)(SiC3)(H)2	C(C[5]C[5]N[5]H)(CSiHH)(H)2	Si(CCHH)(CH3)3	C(CC[5]HH)(SiC3)(H)2	C(C[5]C[5]N[5]H)(CSiHH)(H)2	Si(CCHH)(CH3)3	114.7020	0.000	1	114.7020	0.000	1	114.7020	0.000	1	116.5013	8.900	61	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:Si-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CC[6,6]HH)(SiC3)(H)2	C(C[6,6]C[3x6]C[6,6]H)(CSiHH)(H)2	Si(CCHH)4	C(CC[6,6]HH)(SiC3)(H)2	C(C[6,6]C[3x6]C[6,6]H)(CSiHH)(H)2	Si(CCHH)4	117.7220	0.000	1	117.7220	0.000	1	117.7220	0.000	1	116.5013	8.900	61	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:Si-4:H-1:H-1:	S-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CHHS)(SiC3)(H)2	C(SC[5a]OO)(CSiHH)(H)2	Si(CCHH)(CH3)3	C(CHHS)(SiC3)(H)2	C(SC[5a]OO)(CSiHH)(H)2	Si(CCHH)(CH3)3	114.1600	0.000	1	114.1600	0.000	1	113.1430	1.908	4	116.5013	8.900	61	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:Si-4:H-1:H-1:	S-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CHHS)(SiC3)(H)2	C(SN[3]OO)(CSiHH)(H)2	Si(CCHH)(CH3)3	C(CHHS)(SiC3)(H)2	C(SN[3]OO)(CSiHH)(H)2	Si(CCHH)(CH3)3	112.8040	1.474	3	112.8040	2.172	3	113.1430	1.908	4	116.5013	8.900	61	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:Si-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CSiHH)(SiC3)(H)2	C(SiC[5x3,5x5,20x6]CC)(CSiHH)(H)2	Si(CCHH)4	C(CSiHH)(SiC3)(H)2	C(SiC[5x3,5x5,20x6]CC)(CSiHH)(H)2	Si(CCHH)4	116.1560	0.000	1	116.1560	0.000	1	116.1560	0.000	1	116.5013	8.900	61	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:Si-4:H-1:H-1:	Si[3]-4:C-4:H-1:H-1:	C-4:Si-4:Si-4:Si-4:	C(CSi[3]HH)(SiSi3)(H)2	C(Si[3]C[3]2N)(CSiHH)(H)2	Si(CCHH)(SiC3)3	C(CSi[3]HH)(SiSi3)(H)2	C(Si[3]C[3]2N)(CSiHH)(H)2	Si(CCHH)(SiC3)3	114.1180	0.000	1	114.1180	0.000	1	114.1180	0.000	1	116.5013	8.900	61	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	4:4:4:4:	Si-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C(SiC[5]CC)(CCHH)(H)2	C(CSiHH)(CCHH)(H)2	Si(C[5]C[5,6]C[5]Zr)(CCHH)(CH3)2	C(SiC[5]CC)(CCHH)(H)2	C(CSiHH)(CCHH)(H)2	Si(C[5]C[5,6]C[5]Zr)(CCHH)(CH3)2	114.0200	0.000	1	114.0200	0.000	1	114.0200	0.000	1	116.5013	8.900	61	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	4:4:4:4:	Si-4:C-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C(SiC[5]CC)(CSiHH)(H)2	C(SiC[5]CC)(CSiHH)(H)2	Si(C[5]C[5]2Ti)(CCHH)(CH3)2	C(SiC[5]CC)(CSiHH)(H)2	C(SiC[5]CC)(CSiHH)(H)2	Si(C[5]C[5]2Ti)(CCHH)(CH3)2	118.9489	1.671	18	118.9489	2.791	18	118.9489	2.791	18	116.5013	8.900	61	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	5:3:3:4:	Si-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	Ge[3,4,4,3x5,4x6]-5:C[6a]-3:C[6a]-3:C-4:	C(SiGe[3,4,4,3x5,4x6]C[6a]2)(CCHH)(H)2	C(CSiHH)(CCHH)(H)2	Si(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])(C[6a]C[6a]2)2(CCHH)	C(SiGe[3,4,4,3x5,4x6]C[6a]2)(CCHH)(H)2	C(CSiHH)(CCHH)(H)2	Si(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])(C[6a]C[6a]2)2(CCHH)	117.2340	0.000	1	117.2340	0.000	1	117.2340	0.000	1	117.2340	0.000	1	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:1:1:	6:4:4:4:	Si-4:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C[5x3,5x5,20x6]-6:C-4:C-4:C-4:	C(SiC[5x3,5x5,20x6]CC)(CSiHH)(H)2	C(CSiHH)(SiC3)(H)2	Si(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCHH)(CH3)2	C(SiC[5x3,5x5,20x6]CC)(CSiHH)(H)2	C(CSiHH)(SiC3)(H)2	Si(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCHH)(CH3)2	116.4630	0.000	1	116.4630	0.000	1	116.4630	0.000	1	116.4630	0.000	1	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:2:1:	3:3:4:4:	Si-4:C-4:H-1:H-1:	C-4:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C(SiC[6a]2C)(CCHN)(H)2	C(CC[6a]CH)(CSiHH)(NS)(H)	Si(C[6a]C[6a]2)2(CCHH)(CC3)	C(SiC[6a]2C)(CCHN)(H)2	C(CC[6a]CH)(CSiHH)(NS)(H)	Si(C[6a]C[6a]2)2(CCHH)(CC3)	120.9300	0.000	1	120.9300	0.000	1	120.9300	0.000	1	120.9300	0.000	1	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:2:1:	4:4:4:2:	Si-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C(SiCCO)(CCHO)(H)2	C(CSiHH)(CCHH)(OC)(H)	Si(CCHH)(CC3)2(OC)	C(SiCCO)(CCHO)(H)2	C(CSiHH)(CCHH)(OC)(H)	Si(CCHH)(CC3)2(OC)	116.1260	0.000	1	116.1260	0.000	1	115.4470	0.364	3	115.4470	0.364	3	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:2:1:	4:4:4:2:	Si-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C(SiCCO)(CCHO)(H)2	C(CSiHH)(CCHH)(OH)(H)	Si(CCHH)(CC3)2(OC)	C(SiCCO)(CCHO)(H)2	C(CSiHH)(CCHH)(OH)(H)	Si(CCHH)(CC3)2(OC)	115.1075	0.192	2	115.1075	0.037	2	115.4470	0.364	3	115.4470	0.364	3	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:3:1:	3:3:4:4:	Si-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C(SiC[6a]2C)(CCHN)(H)2	C(CC[6a]CH)(CSiHH)(NHS)(H)	Si(C[6a]C[6a]2)2(CCHH)(CC3)	C(SiC[6a]2C)(CCHN)(H)2	C(CC[6a]CH)(CSiHH)(NHS)(H)	Si(C[6a]C[6a]2)2(CCHH)(CC3)	121.1490	0.000	1	121.1490	0.000	1	122.3550	2.909	2	122.3550	2.909	2	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:3:1:	3:3:4:4:	Si-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C(SiC[6a]2C)(CCHN)(H)2	C(CSiHH)(CCCH)(NHS)(H)	Si(C[6a]C[6a]2)2(CCHH)(CC3)	C(SiC[6a]2C)(CCHN)(H)2	C(CSiHH)(CCCH)(NHS)(H)	Si(C[6a]C[6a]2)2(CCHH)(CC3)	123.5610	0.000	1	123.5610	0.000	1	122.3550	2.909	2	122.3550	2.909	2	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:3:1:	3:4:4:4:	Si-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:C-4:	C(SiC[6a]CC)(CCCH)(H)2	C(CSiHH)(CCCO)(CCH)(H)	Si(C[6a]C[6a]2)(CCHH)(CH3)2	C(SiC[6a]CC)(CCCH)(H)2	C(CSiHH)(CCCO)(CCH)(H)	Si(C[6a]C[6a]2)(CCHH)(CH3)2	118.1990	0.000	1	118.1990	0.000	1	118.1990	0.000	1	118.1990	0.000	1	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:3:2:	4:4:4:4:	C-4:Si-4:H-1:H-1:	C-4:C-4:C-3:N-2:	C-4:C-4:C-4:C-4:	C(CCCN)(SiC3)(H)2	C(CSiHH)(CH3)(COO)(NC)	Si(CCHH)(CH3)3	C(CCCN)(SiC3)(H)2	C(CSiHH)(CH3)(COO)(NC)	Si(CCHH)(CH3)3	122.5750	0.000	1	122.5750	0.000	1	122.5750	0.000	1	122.5750	0.000	1	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:3:3:	4:4:4:4:	C-4:Si-4:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:C-4:C-4:C-4:	C(CCCN)(SiC3)(H)2	C(CSiHH)(CH3)(COO)(NCH)	Si(CCHH)(CH3)3	C(CCCN)(SiC3)(H)2	C(CSiHH)(CH3)(COO)(NCH)	Si(CCHH)(CH3)3	121.9461	1.530	8	121.9461	2.340	8	121.9461	2.340	8	121.8335	1.596	12	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:3:3:	4:4:4:4:	Si-4:C-4:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:C-4:C-4:C-4:	C(SiC3)(CC3)(H)2	C(CSiHH)(CH3)(COO)2	Si(CCHH)(CH3)3	C(SiC3)(CC3)(H)2	C(CSiHH)(CH3)(COO)2	Si(CCHH)(CH3)3	121.6082	0.539	4	121.6082	0.291	4	121.6082	0.291	4	121.8335	1.596	12	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:4:1:	2:4:4:4:	Si-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	O-2:C-4:C-4:C-4:	C(SiCCO)(CCCH)(H)2	C(CSiHH)(CH3)2(H)	Si(OC[6a])(CCHH)(CC3)2	C(SiCCO)(CCCH)(H)2	C(CSiHH)(CH3)2(H)	Si(OC[6a])(CCHH)(CC3)2	121.9560	0.000	1	121.9560	0.000	1	117.6561	8.865	7	117.6561	8.865	7	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:4:1:	2:4:4:4:	Si-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	O-2:C-4:C-4:C-4:	C(SiCCO)(CCCH)(H)2	C(CSiHH)(CH3)2(H)	Si(OSi[4x6])(CCHH)3	C(SiCCO)(CCCH)(H)2	C(CSiHH)(CH3)2(H)	Si(OSi[4x6])(CCHH)3	116.9395	2.515	6	116.9395	6.323	6	117.6561	8.865	7	117.6561	8.865	7	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:4:1:	3:3:3:4:	Si-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(SiC[6a]3)(CCCH)(H)2	C(CSiHH)(CH3)2(H)	Si(C[6a]C[6a]2)3(CCHH)	C(SiC[6a]3)(CCCH)(H)2	C(CSiHH)(CH3)2(H)	Si(C[6a]C[6a]2)3(CCHH)	123.2460	0.000	1	123.2460	0.000	1	123.2460	0.000	1	123.2460	0.000	1	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:4:1:	4:2:2:1:	C-4:Si-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:O-2:O-2:O-1:	C(CCCH)(SiO3)(H)2	C(CSiHH)(CH3)2(H)	Si(CCHH)(OSi)2(O)	C(CCCH)(SiO3)(H)2	C(CSiHH)(CH3)2(H)	Si(CCHH)(OSi)2(O)	119.7280	0.000	1	119.7280	0.000	1	119.7280	0.000	1	119.7280	0.000	1	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:4:1:	4:2:2:2:	C-4:Si-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:O-2:O-2:O-2:	C(CCCH)(SiO3)(H)2	C(CSiHH)(CH3)2(H)	Si(CCHH)(OFe)(OSi)2	C(CCCH)(SiO3)(H)2	C(CSiHH)(CH3)2(H)	Si(CCHH)(OFe)(OSi)2	119.4817	3.393	3	119.4817	11.509	3	118.3048	3.579	21	118.3048	3.579	21	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:4:1:	4:2:2:2:	C-4:Si-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:O-2:O-2:O-2:	C(CCCH)(SiO3)(H)2	C(CSiHH)(CH3)2(H)	Si(CCHH)(OPt)(OSi)2	C(CCCH)(SiO3)(H)2	C(CSiHH)(CH3)2(H)	Si(CCHH)(OPt)(OSi)2	117.6550	0.000	1	117.6550	0.000	1	118.3048	3.579	21	118.3048	3.579	21	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:4:1:	4:2:2:2:	C-4:Si-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:O-2:O-2:O-2:	C(CCCH)(SiO3)(H)2	C(CSiHH)(CH3)2(H)	Si(CCHH)(OSi)2(OH)	C(CCCH)(SiO3)(H)2	C(CSiHH)(CH3)2(H)	Si(CCHH)(OSi)2(OH)	117.3930	0.000	1	117.3930	0.000	1	118.3048	3.579	21	118.3048	3.579	21	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:4:1:	4:2:2:2:	C-4:Si-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:O-2:O-2:O-2:	C(CCCH)(SiO3)(H)2	C(CSiHH)(CH3)2(H)	Si(CCHH)(OSi)3	C(CCCH)(SiO3)(H)2	C(CSiHH)(CH3)2(H)	Si(CCHH)(OSi)3	118.1817	1.691	16	118.1817	2.861	16	118.3048	3.579	21	118.3048	3.579	21	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:4:1:	4:4:2:2:	Si-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:O-2:	C(SiCOO)(CCCH)(H)2	C(CSiHH)(CH3)2(H)	Si(CCHH)2(OSi)2	C(SiCOO)(CCCH)(H)2	C(CSiHH)(CH3)2(H)	Si(CCHH)2(OSi)2	117.2707	1.172	6	117.2707	1.373	6	117.2707	1.373	6	117.2707	1.373	6	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:4:1:	4:4:4:2:	Si-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:O-2:	C(SiCCO)(CCCH)(H)2	C(CSiHH)(CBCH)(CCHH)(H)	Si(CCHH)(CC3)2(OC)	C(SiCCO)(CCCH)(H)2	C(CSiHH)(CBCH)(CCHH)(H)	Si(CCHH)(CC3)2(OC)	118.6510	0.000	1	118.6510	0.000	1	118.6510	0.000	1	118.6510	0.000	1	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:4:1:	4:4:4:4:	C-4:Si-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C(CCCH)(SiC3)(H)2	C(CC[5,5]HH)(CSiHH)(CCHO)(H)	Si(CCHH)(CH3)3	C(CCCH)(SiC3)(H)2	C(CC[5,5]HH)(CSiHH)(CCHO)(H)	Si(CCHH)(CH3)3	120.3260	0.000	1	120.3260	0.000	1	119.2192	11.380	5	119.2192	11.380	5	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:4:1:	4:4:4:4:	C-4:Si-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C(CCCH)(SiC3)(H)2	C(CC[6a]HO)(CSiHH)(CCHO)(H)	Si(CCHH)(CC3)(CH3)2	C(CCCH)(SiC3)(H)2	C(CC[6a]HO)(CSiHH)(CCHO)(H)	Si(CCHH)(CC3)(CH3)2	116.2800	0.000	1	116.2800	0.000	1	119.2192	11.380	5	119.2192	11.380	5	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:4:1:	4:4:4:4:	C-4:Si-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C(CCCH)(SiC3)(H)2	C(CN[5]CH)(CSiHH)(CCHH)(H)	Si(CCHH)(CH3)3	C(CCCH)(SiC3)(H)2	C(CN[5]CH)(CSiHH)(CCHH)(H)	Si(CCHH)(CH3)3	119.7910	5.876	2	119.7910	34.528	2	119.2192	11.380	5	119.2192	11.380	5	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:4:1:	4:4:4:4:	C-4:Si-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C(CCCH)(SiC3)(H)2	C(CSiHH)(CCHH)(CCHN)(H)	Si(CCHH)(CH3)3	C(CCCH)(SiC3)(H)2	C(CSiHH)(CCHH)(CCHN)(H)	Si(CCHH)(CH3)3	119.9080	0.000	1	119.9080	0.000	1	119.2192	11.380	5	119.2192	11.380	5	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:4:2:	4:4:4:4:	C-4:Si-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:C-4:	C(CCCO)(SiC3)(H)2	C(CFeCC)2(CSiHH)(OH)	Si(CCHH)(CH3)3	C(CCCO)(SiC3)(H)2	C(CFeCC)2(CSiHH)(OH)	Si(CCHH)(CH3)3	117.2880	0.000	1	117.2880	0.000	1	117.2880	0.000	1	117.2880	0.000	1	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:4:3:	4:4:4:4:	C-4:Si-4:H-1:H-1:	C-4:C-4:N-4:C-3:	C-4:C-4:C-4:C-4:	C(CCCN)(SiC3)(H)2	C(CSiHH)(CH3)(NH3)(COO)	Si(CCHH)(CH3)3	C(CCCN)(SiC3)(H)2	C(CSiHH)(CH3)(NH3)(COO)	Si(CCHH)(CH3)3	122.2810	0.547	3	122.2810	0.300	3	122.2810	0.300	3	122.7713	1.161	4	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:4:3:	4:4:4:4:	C-4:Si-4:H-1:H-1:	C-4:N-4:C-4:C-3:	C-4:C-4:C-4:C-4:	C(CCCN)(SiC3)(H)2	C(CSiHH)(NRhHH)(CH3)(COO)	Si(CCHH)(CH3)3	C(CCCN)(SiC3)(H)2	C(CSiHH)(NRhHH)(CH3)(COO)	Si(CCHH)(CH3)3	124.2420	0.000	1	124.2420	0.000	1	124.2420	0.000	1	122.7713	1.161	4	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:4:4:4:	4:4:4:2:	Si-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:C-4:Si-2:	C(SiSiCC)(CC3)(H)2	C(CSiHH)(CH3)3	Si(CSi2H)2(CCHH)(SiSi)	C(SiSiCC)(CC3)(H)2	C(CSiHH)(CH3)3	Si(CSi2H)2(CCHH)(SiSi)	131.4490	0.000	1	131.4490	0.000	1	131.4490	0.000	1	131.4490	0.000	1	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:1:1:	4:5:1:1:	4:4:4:4:	C-4:Si-4:H-1:H-1:	C-4:C-5:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(SiC3)(H)2	C(CSiHH)(CAl4)(H)2	Si(CCHH)(CH3)3	C(CCHH)(SiC3)(H)2	C(CSiHH)(CAl4)(H)2	Si(CCHH)(CH3)3	114.8930	0.000	1	114.8930	0.000	1	114.8930	0.000	1	114.8930	0.000	1	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:2:1:	4:4:1:1:	4:4:4:4:	C-4:Si-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(SiC3)(OH)(H)	C(CN[5]HH)(CSiHO)(H)2	Si(CCHO)(CH3)3	C(CCHH)(SiC3)(OH)(H)	C(CN[5]HH)(CSiHO)(H)2	Si(CCHO)(CH3)3	115.7870	0.000	1	115.7870	0.000	1	115.7870	0.000	1	115.7870	0.000	1	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:2:1:	4:4:4:4:	4:4:4:2:	Si-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	Si-4:C-4:Si-4:O-2:	C(SiSi2O)(CC3)(OSi)(H)	C(CSiHO)(CH3)3	Si(SiSiCC)(CCHO)(SiC3)(OC)	C(SiSi2O)(CC3)(OSi)(H)	C(CSiHO)(CH3)3	Si(SiSiCC)(CCHO)(SiC3)(OC)	120.4290	0.000	1	120.4290	0.000	1	120.4290	0.000	1	120.4290	0.000	1	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:2:1:	4:4:4:4:	4:4:4:3:	Si-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:Si-4:Si-4:N-3:	C(SiSi2N)(CC3)(OSi)(H)	C(CSiHO)(CH3)3	Si(CCHO)(SiC3)2(NCH)	C(SiSi2N)(CC3)(OSi)(H)	C(CSiHO)(CH3)3	Si(CCHO)(SiC3)2(NCH)	121.5340	0.000	1	121.5340	0.000	1	121.5340	0.000	1	121.5340	0.000	1	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:3:1:	4:1:1:1:	3:3:3:4:	Si-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(SiC[6a]3)(CH3)(COO)(H)	C(CSiCH)(H)3	Si(C[6a]C[6a]2)3(CCCH)	C(SiC[6a]3)(CH3)(COO)(H)	C(CSiCH)(H)3	Si(C[6a]C[6a]2)3(CCCH)	112.4700	0.048	2	112.4700	0.002	2	112.4700	0.002	2	112.4700	0.002	2	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:3:1:	4:1:1:1:	3:4:4:1:	Si-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C(SiC[6a]CH)(CH3)(COO)(H)	C(CSiCH)(H)3	Si(C[6a]C[6a]2)(CCCH)2(H)	C(SiC[6a]CH)(CH3)(COO)(H)	C(CSiCH)(H)3	Si(C[6a]C[6a]2)(CCCH)2(H)	111.8570	0.000	1	111.8570	0.000	1	111.8570	0.000	1	111.8570	0.000	1	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:3:1:	4:1:1:1:	4:4:4:2:	Si-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-2:	C(SiC3)(CH3)(CHH)(H)	C(CSiCH)(H)3	Si(CCCH)3(CC)	C(SiC3)(CH3)(CHH)(H)	C(CSiCH)(H)3	Si(CCCH)3(CC)	113.5220	0.000	1	113.5220	0.000	1	113.5220	0.000	1	113.5220	0.000	1	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:3:1:	4:1:1:1:	4:4:4:3:	Si-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C(SiC3)(CH3)(CCC)(H)	C(CSiCH)(H)3	Si(CCCH)(CC3)2(CCH)	C(SiC3)(CH3)(CCC)(H)	C(CSiCH)(H)3	Si(CCCH)(CC3)2(CCH)	117.2130	0.000	1	117.2130	0.000	1	117.2130	0.000	1	117.2130	0.000	1	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:3:1:	4:2:1:1:	3:4:4:4:	Si-4:C-4:C-3:H-1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C(SiC[6a]CC)(CHHO)(CCH)(H)	C(CSiCH)(OC)(H)2	Si(C[6a]C[6a]2)(CCCH)(CH3)2	C(SiC[6a]CC)(CHHO)(CCH)(H)	C(CSiCH)(OC)(H)2	Si(C[6a]C[6a]2)(CCCH)(CH3)2	114.6040	0.000	1	114.6040	0.000	1	114.6040	0.000	1	114.6040	0.000	1	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:3:1:	4:3:1:1:	4:4:4:4:	C-4:Si-4:C-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(SiC3)(COO)(O)	C(CSiCO)(CCH)(H)2	Si(CCCO)(CC3)(CH3)2	C(CCHH)(SiC3)(COO)(O)	C(CSiCO)(CCH)(H)2	Si(CCCO)(CC3)(CH3)2	110.0800	0.000	1	110.0800	0.000	1	110.0800	0.000	1	110.0800	0.000	1	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:3:1:	4:4:1:1:	4:4:4:2:	Si-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C(SiCCO)(CCHH)(NCH)(H)	C(CSiHN)(CCHH)(H)2	Si(CCHN)(CH3)2(OSi)	C(SiCCO)(CCHH)(NCH)(H)	C(CSiHN)(CCHH)(H)2	Si(CCHN)(CH3)2(OSi)	115.1750	1.184	2	115.1750	1.401	2	115.1750	1.401	2	115.1750	1.401	2	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:3:1:	4:4:4:1:	3:4:4:4:	Si-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:C-4:	C(SiC[6a]CC)(CCCH)(CCH)(H)	C(CSiCH)(CCHH)2(H)	Si(C[6a]C[6a]2)(CCCH)(CH3)2	C(SiC[6a]CC)(CCCH)(CCH)(H)	C(CSiCH)(CCHH)2(H)	Si(C[6a]C[6a]2)(CCCH)(CH3)2	116.4080	0.000	1	116.4080	0.000	1	116.4080	0.000	1	116.4080	0.000	1	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:3:1:	4:4:4:4:	3:4:4:4:	Si-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-4:	C[6a]-3:C-4:C-4:C-4:	C(SiC[6a]CC)(CC3)(NHS)(H)	C(CSiHN)(CH3)3	Si(C[6a]C[6a]2)(CCHN)(CH3)2	C(SiC[6a]CC)(CC3)(NHS)(H)	C(CSiHN)(CH3)3	Si(C[6a]C[6a]2)(CCHN)(CH3)2	121.0060	0.000	1	121.0060	0.000	1	121.0060	0.000	1	121.0060	0.000	1	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:3:2:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(SiC3)(CH3)(COO)(OH)	C(CSiCO)(H)3	Si(CCCO)(CH3)3	C(SiC3)(CH3)(COO)(OH)	C(CSiCO)(H)3	Si(CCCO)(CH3)3	113.0720	0.287	2	113.0720	0.082	2	113.0720	0.082	2	113.0720	0.082	2	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:3:2:	4:4:1:1:	4:4:4:3:	C-4:Si-4:C-3:O-2:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C(CCHH)(SiC3)(CHO)(OH)	C(CN[5a]HH)(CSiCO)(H)2	Si(CCCO)(CCHH)2(CCH)	C(CCHH)(SiC3)(CHO)(OH)	C(CN[5a]HH)(CSiCO)(H)2	Si(CCCO)(CCHH)2(CCH)	112.2260	0.000	1	112.2260	0.000	1	112.2260	0.000	1	112.2260	0.000	1	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:3:2:	4:4:3:1:	4:4:4:4:	C-4:Si-4:C-3:O-2:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:C-4:	C(CCCH)(SiC3)(COO)(OH)	C(CSiCO)(CH3)(CCH)(H)	Si(CCCO)(CC3)(CH3)2	C(CCCH)(SiC3)(COO)(OH)	C(CSiCO)(CH3)(CCH)(H)	Si(CCCO)(CC3)(CH3)2	113.5600	0.000	1	113.5600	0.000	1	113.5600	0.000	1	113.5600	0.000	1	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:3:3:	3:4:1:1:	4:4:4:4:	C-4:Si-4:Ga-3:Ga-3:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CC[6a]HH)(SiC3)(GaCC)2	C(C[6a]C[6a]2)(CGa2Si)(H)2	Si(CGa2C)(CH3)3	C(CC[6a]HH)(SiC3)(GaCC)2	C(C[6a]C[6a]2)(CGa2Si)(H)2	Si(CGa2C)(CH3)3	111.1790	0.000	1	111.1790	0.000	1	111.1790	0.000	1	111.1790	0.000	1	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	3:4:1:1:	3:4:1:1:	Si-4:Si-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C-3:C-4:Cl-1:Cl-1:	C(SiCl2C)2(CCHH)(H)	C(CC[6a]C)(CSi2H)(H)2	Si(CC[6a]C)(CSiCH)(Cl)2	C(SiCl2C)2(CCHH)(H)	C(CC[6a]C)(CSi2H)(H)2	Si(CC[6a]C)(CSiCH)(Cl)2	105.9530	0.000	1	105.9530	0.000	1	105.9530	0.000	1	105.9530	0.000	1	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	3:4:1:1:	3:4:2:2:	Si-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:O-2:	C(SiC[6a]OO)(CC[6a]HH)(CH3)(H)	C(C[6a]C[6a]2)(CSiCH)(H)2	Si(C[6a]C[6a]2)(CCCH)(OH)2	C(SiC[6a]OO)(CC[6a]HH)(CH3)(H)	C(C[6a]C[6a]2)(CSiCH)(H)2	Si(C[6a]C[6a]2)(CCCH)(OH)2	111.4510	0.000	1	111.4510	0.000	1	111.4510	0.000	1	111.4510	0.000	1	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	3:4:1:1:	4:3:1:1:	Si-4:Si-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C-4:C-3:Cl-1:Cl-1:	C(SiCl2C)2(CCHH)(H)	C(CC[6a]C)(CSi2H)(H)2	Si(CSiCH)(CCH)(Cl)2	C(SiCl2C)2(CCHH)(H)	C(CC[6a]C)(CSi2H)(H)2	Si(CSiCH)(CCH)(Cl)2	113.5830	0.000	1	113.5830	0.000	1	113.5830	0.000	1	113.5830	0.000	1	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	3:4:3:1:	4:4:4:4:	C-4:C-4:Si-4:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:C-4:C-4:	C(CN[5]CH)(CCHH)(SiC3)(H)	C(N[5]C[5]2)(CSiCH)(CCH)(H)	Si(CCCH)(CH3)3	C(CN[5]CH)(CCHH)(SiC3)(H)	C(N[5]C[5]2)(CSiCH)(CCH)(H)	Si(CCCH)(CH3)3	113.3220	0.000	1	113.3220	0.000	1	113.3220	0.000	1	113.3220	0.000	1	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	3:4:4:1:	4:4:4:1:	C-4:Si-4:Si-4:H-1:	C[6a]-3:Si-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CC[6a]SiH)(SiCCH)(SiC3)(H)	C(C[6a]C[6a]2)(SiSiCC)(CSi2H)(H)	Si(CSiCH)(CH3)2(H)	C(CC[6a]SiH)(SiCCH)(SiC3)(H)	C(C[6a]C[6a]2)(SiSiCC)(CSi2H)(H)	Si(CSiCH)(CH3)2(H)	116.9610	0.000	1	116.9610	0.000	1	116.9610	0.000	1	116.9610	0.000	1	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	3:4:4:1:	4:4:4:4:	C-4:Si-4:Si-4:H-1:	C[6a]-3:Si-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C(CC[6a]SiH)(SiCCH)(SiC3)(H)	C(C[6a]C[6a]2)(SiSiCC)(CSi2H)(H)	Si(CSiCH)(CH3)3	C(CC[6a]SiH)(SiCCH)(SiC3)(H)	C(C[6a]C[6a]2)(SiSiCC)(CSi2H)(H)	Si(CSiCH)(CH3)3	111.4180	0.000	1	111.4180	0.000	1	111.4180	0.000	1	111.4180	0.000	1	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	2:3:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	Br-2:C[6a]-3:C-4:C-4:	C(SiC[6a]BrC)(CH3)2(H)	C(CSiCH)(H)3	Si(BrB[5x3,5x5,20x6])(C[6a]C[6a]2)(CCCH)2	C(SiC[6a]BrC)(CH3)2(H)	C(CSiCH)(H)3	Si(BrB[5x3,5x5,20x6])(C[6a]C[6a]2)(CCCH)2	112.9942	5.798	4	112.9942	33.621	4	112.9942	33.621	4	112.9942	33.621	4	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	2:4:4:2:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:O-2:	C(SiCOO)(CH3)2(H)	C(CSiCH)(H)3	Si(OC[5])(CCCH)2(OSi)	C(SiCOO)(CH3)2(H)	C(CSiCH)(H)3	Si(OC[5])(CCCH)2(OSi)	111.5288	1.024	4	111.5288	1.048	4	111.5288	1.048	4	111.5288	1.048	4	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	2:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	Cl-2:C-4:C-4:C-4:	C(SiClCC)(CH3)2(H)	C(CSiCH)(H)3	Si(ClB[5x3,5x5,20x6])(CCCH)3	C(SiClCC)(CH3)2(H)	C(CSiCH)(H)3	Si(ClB[5x3,5x5,20x6])(CCCH)3	112.4063	3.198	6	112.4063	10.226	6	112.4063	10.226	6	113.6809	3.241	174	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	2:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-4:	C(SiCCO)(CH3)2(H)	C(CSiCH)(H)3	Si(OC[5,5,6])(CCCH)3	C(SiCCO)(CH3)2(H)	C(CSiCH)(H)3	Si(OC[5,5,6])(CCCH)3	113.3615	3.334	6	113.3615	11.114	6	113.7264	2.991	168	113.6809	3.241	174	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	2:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-4:	C(SiCCO)(CH3)2(H)	C(CSiCH)(H)3	Si(OC[5])(CCCH)3	C(SiCCO)(CH3)2(H)	C(CSiCH)(H)3	Si(OC[5])(CCCH)3	113.7309	1.890	54	113.7309	3.571	54	113.7264	2.991	168	113.6809	3.241	174	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	2:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-4:	C(SiCCO)(CH3)2(H)	C(CSiCH)(H)3	Si(OC[5a])(CCCH)3	C(SiCCO)(CH3)2(H)	C(CSiCH)(H)3	Si(OC[5a])(CCCH)3	113.9368	0.737	12	113.9368	0.544	12	113.7264	2.991	168	113.6809	3.241	174	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	2:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-4:	C(SiCCO)(CH3)2(H)	C(CSiCH)(H)3	Si(OC[6,6])(CCCH)3	C(SiCCO)(CH3)2(H)	C(CSiCH)(H)3	Si(OC[6,6])(CCCH)3	113.9949	0.946	12	113.9949	0.895	12	113.7264	2.991	168	113.6809	3.241	174	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	2:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-4:	C(SiCCO)(CH3)2(H)	C(CSiCH)(H)3	Si(OC[6])(CCCH)3	C(SiCCO)(CH3)2(H)	C(CSiCH)(H)3	Si(OC[6])(CCCH)3	113.7941	1.345	24	113.7941	1.810	24	113.7264	2.991	168	113.6809	3.241	174	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	2:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-4:	C(SiCCO)(CH3)2(H)	C(CSiCH)(H)3	Si(OC[6a])(CCCH)3	C(SiCCO)(CH3)2(H)	C(CSiCH)(H)3	Si(OC[6a])(CCCH)3	113.6360	1.815	60	113.6360	3.294	60	113.7264	2.991	168	113.6809	3.241	174	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	3:3:4:4:	C[6]-4:Si-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C(C[6]C[6]N[6]H)(SiC[6a]2C)(CH3)(H)	C(CC[6]SiH)(H)3	Si(C[6a]C[6a]2)2(CC[6]CH)(CC3)	C(C[6]C[6]N[6]H)(SiC[6a]2C)(CH3)(H)	C(CC[6]SiH)(H)3	Si(C[6a]C[6a]2)2(CC[6]CH)(CC3)	109.9670	0.151	2	109.9670	0.023	2	109.9670	0.023	2	112.3611	4.202	31	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	3:3:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:C-4:	C(SiC[5a]C[6a]C)(CH3)2(H)	C(CSiCH)(H)3	Si(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCCH)2	C(SiC[5a]C[6a]C)(CH3)2(H)	C(CSiCH)(H)3	Si(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCCH)2	112.2337	1.816	24	112.2337	3.297	24	112.2337	3.297	24	112.3611	4.202	31	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	3:3:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N-3:N-3:C-4:C-4:	C(SiCNN)(CH3)2(H)	C(CSiCH)(H)3	Si(NC[6a]H)2(CCCH)2	C(SiCNN)(CH3)2(H)	C(CSiCH)(H)3	Si(NC[6a]H)2(CCCH)2	113.9306	2.551	5	113.9306	6.508	5	113.9306	6.508	5	112.3611	4.202	31	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	3:4:2:2:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:O-2:O-2:	C(SiC[6a]OO)(CC[6a]HH)(CH3)(H)	C(CSiCH)(H)3	Si(C[6a]C[6a]2)(CCCH)(OH)2	C(SiC[6a]OO)(CC[6a]HH)(CH3)(H)	C(CSiCH)(H)3	Si(C[6a]C[6a]2)(CCCH)(OH)2	111.9620	0.000	1	111.9620	0.000	1	112.4804	1.486	8	112.4804	1.486	8	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	3:4:2:2:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:O-2:O-2:	C(SiC[6a]OO)(CH3)2(H)	C(CSiCH)(H)3	Si(C[6a]C[6a]2)(CCCH)(OSi)2	C(SiC[6a]OO)(CH3)2(H)	C(CSiCH)(H)3	Si(C[6a]C[6a]2)(CCCH)(OSi)2	112.5544	1.297	7	112.5544	1.682	7	112.4804	1.486	8	112.4804	1.486	8	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	3:4:4:1:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:Cl-1:	C(SiC[6a]ClC)(CH3)2(H)	C(CSiCH)(H)3	Si(C[6a]C[6a]2)(CCCH)2(Cl)	C(SiC[6a]ClC)(CH3)2(H)	C(CSiCH)(H)3	Si(C[6a]C[6a]2)(CCCH)2(Cl)	111.4323	0.887	4	111.4323	0.786	4	111.4323	0.786	4	111.4759	1.576	14	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	3:4:4:1:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C(SiC[6a]CH)(CH3)2(H)	C(CSiCH)(H)3	Si(C[6a]C[6a]2)(CCCH)2(H)	C(SiC[6a]CH)(CH3)2(H)	C(CSiCH)(H)3	Si(C[6a]C[6a]2)(CCCH)2(H)	111.5610	3.265	2	111.5610	10.663	2	111.5610	10.663	2	111.4759	1.576	14	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	3:4:4:1:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:N-1:	C(SiC[6a]CN)(CH3)2(H)	C(CSiCH)(H)3	Si(C[6a]C[6a]2)(CCCH)2(N)	C(SiC[6a]CN)(CH3)2(H)	C(CSiCH)(H)3	Si(C[6a]C[6a]2)(CCCH)2(N)	111.5420	0.792	4	111.5420	0.628	4	111.5420	0.628	4	111.4759	1.576	14	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	3:4:4:1:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:P-1:	C(SiC[6a]CP)(CH3)2(H)	C(CSiCH)(H)3	Si(C[6a]C[6a]2)(CCCH)2(P)	C(SiC[6a]CP)(CH3)2(H)	C(CSiCH)(H)3	Si(C[6a]C[6a]2)(CCCH)2(P)	111.4108	1.358	4	111.4108	1.845	4	111.4108	1.845	4	111.4759	1.576	14	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	3:4:4:2:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C(SiC[6a]CO)(CH3)2(H)	C(CSiCH)(H)3	Si(C[6a]C[6a]2)(CCCH)2(OC)	C(SiC[6a]CO)(CH3)2(H)	C(CSiCH)(H)3	Si(C[6a]C[6a]2)(CCCH)2(OC)	111.9740	1.292	4	111.9740	1.669	4	112.0247	1.213	51	112.0693	1.454	59	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	3:4:4:2:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C(SiC[6a]CO)(CH3)2(H)	C(CSiCH)(H)3	Si(C[6a]C[6a]2)(CCCH)2(OH)	C(SiC[6a]CO)(CH3)2(H)	C(CSiCH)(H)3	Si(C[6a]C[6a]2)(CCCH)2(OH)	112.0290	1.100	47	112.0290	1.209	47	112.0247	1.213	51	112.0693	1.454	59	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	3:4:4:2:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	O-3:C-4:C-4:O-2:	C(SiCOO)(CH3)2(H)	C(CSiCH)(H)3	Si(OCrLi)(CCCH)2(OSi)	C(SiCOO)(CH3)2(H)	C(CSiCH)(H)3	Si(OCrLi)(CCCH)2(OSi)	112.3539	1.810	8	112.3539	3.278	8	112.3539	3.278	8	112.0693	1.454	59	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	3:4:4:3:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:P-3:	C(SiC[6a]CP)(CH3)2(H)	C(CSiCH)(H)3	Si(C[6a]C[6a]2)(CCCH)2(PSiH)	C(SiC[6a]CP)(CH3)2(H)	C(CSiCH)(H)3	Si(C[6a]C[6a]2)(CCCH)2(PSiH)	113.6044	1.460	8	113.6044	2.132	8	113.6044	2.132	8	113.6044	2.132	8	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	3:4:4:4:	C[4]-4:Si-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C(C[4]C[4]2H)(SiC[6a]CC)(CH3)(H)	C(CC[4]SiH)(H)3	Si(C[6a]C[6a]2)(CC[4]CH)(CH3)2	C(C[4]C[4]2H)(SiC[6a]CC)(CH3)(H)	C(CC[4]SiH)(H)3	Si(C[6a]C[6a]2)(CC[4]CH)(CH3)2	109.3170	0.000	1	109.3170	0.000	1	109.3170	0.000	1	113.8298	3.291	816	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:C-1:	C-4:H-1:H-1:H-1:	Ge-3:C-4:C-4:C-4:	C(SiGeCC)(CH3)2(C)	C(CSiCC)(H)3	Si(GeSi2)(CC3)2(CH3)	C(SiGeCC)(CH3)2(C)	C(CSiCC)(H)3	Si(GeSi2)(CC3)2(CH3)	109.4325	4.615	2	109.4325	21.301	2	109.4325	21.301	2	113.8298	3.291	816	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C(SiC3)(CH3)2(H)	C(CSiCH)(H)3	Si(CC[3x3,4,3x5,14x6]C[4])(CCCH)3	C(SiC3)(CH3)2(H)	C(CSiCH)(H)3	Si(CC[3x3,4,3x5,14x6]C[4])(CCCH)3	114.5988	1.581	11	114.5988	2.499	11	113.9351	2.184	100	113.8298	3.291	816	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C(SiC3)(CH3)2(H)	C(CSiCH)(H)3	Si(CC[4]Br)(CCCH)3	C(SiC3)(CH3)2(H)	C(CSiCH)(H)3	Si(CC[4]Br)(CCCH)3	113.3925	1.744	6	113.3925	3.042	6	113.9351	2.184	100	113.8298	3.291	816	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C(SiC3)(CH3)2(H)	C(CSiCH)(H)3	Si(CC[5]C)(CCCH)3	C(SiC3)(CH3)2(H)	C(CSiCH)(H)3	Si(CC[5]C)(CCCH)3	113.8661	1.492	47	113.8661	2.225	47	113.9351	2.184	100	113.8298	3.291	816	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C(SiC3)(CH3)2(H)	C(CSiCH)(H)3	Si(CC[5]H)(CCCH)3	C(SiC3)(CH3)2(H)	C(CSiCH)(H)3	Si(CC[5]H)(CCCH)3	114.1458	1.634	12	114.1458	2.669	12	113.9351	2.184	100	113.8298	3.291	816	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C(SiC3)(CH3)2(H)	C(CSiCH)(H)3	Si(CC[6]C)(CCCH)3	C(SiC3)(CH3)2(H)	C(CSiCH)(H)3	Si(CC[6]C)(CCCH)3	113.3663	1.498	6	113.3663	2.243	6	113.9351	2.184	100	113.8298	3.291	816	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C(SiC3)(CH3)2(H)	C(CSiCH)(H)3	Si(CC[6a]C)(CCCH)3	C(SiC3)(CH3)2(H)	C(CSiCH)(H)3	Si(CC[6a]C)(CCCH)3	113.9398	1.183	18	113.9398	1.400	18	113.9351	2.184	100	113.8298	3.291	816	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:C-4:	C(SiC[5]CC)(CH3)2(H)	C(CSiCH)(H)3	Si(C[5]C[3x5]C[5,6])(CCCH)3	C(SiC[5]CC)(CH3)2(H)	C(CSiCH)(H)3	Si(C[5]C[3x5]C[5,6])(CCCH)3	113.7320	1.187	6	113.7320	1.409	6	113.9737	3.556	53	113.8298	3.291	816	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:C-4:	C(SiC[5]CC)(CH3)2(H)	C(CSiCH)(H)3	Si(C[5]C[3x5]C[5])(CCCH)3	C(SiC[5]CC)(CH3)2(H)	C(CSiCH)(H)3	Si(C[5]C[3x5]C[5])(CCCH)3	113.7197	2.088	12	113.7197	4.361	12	113.9737	3.556	53	113.8298	3.291	816	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:C-4:	C(SiC[5]CC)(CH3)2(H)	C(CSiCH)(H)3	Si(C[5]C[5]2)(CCCH)3	C(SiC[5]CC)(CH3)2(H)	C(CSiCH)(H)3	Si(C[5]C[5]2)(CCCH)3	113.7403	1.383	29	113.7403	1.913	29	113.9737	3.556	53	113.8298	3.291	816	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:C-4:	C(SiC[5]CC)(CH3)2(H)	C(CSiCH)(H)3	Si(C[5]Se[5]C[5])(CCCH)3	C(SiC[5]CC)(CH3)2(H)	C(CSiCH)(H)3	Si(C[5]Se[5]C[5])(CCCH)3	115.8510	3.239	6	115.8510	10.493	6	113.9737	3.556	53	113.8298	3.291	816	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:C-4:	C(SiC[5a]CC)(CH3)2(H)	C(CSiCH)(H)3	Si(C[5a]C[5a,6a]C[5a])(CCCH)3	C(SiC[5a]CC)(CH3)2(H)	C(CSiCH)(H)3	Si(C[5a]C[5a,6a]C[5a])(CCCH)3	113.4695	1.201	12	113.4695	1.442	12	113.4644	2.090	238	113.8298	3.291	816	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:C-4:	C(SiC[5a]CC)(CH3)2(H)	C(CSiCH)(H)3	Si(C[5a]C[5a]N[5a])(CCCH)3	C(SiC[5a]CC)(CH3)2(H)	C(CSiCH)(H)3	Si(C[5a]C[5a]N[5a])(CCCH)3	113.6498	1.206	30	113.6498	1.454	30	113.4644	2.090	238	113.8298	3.291	816	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:C-4:	C(SiC[5a]CC)(CH3)2(H)	C(CSiCH)(H)3	Si(C[5a]C[5a]S[5a])(CCCH)3	C(SiC[5a]CC)(CH3)2(H)	C(CSiCH)(H)3	Si(C[5a]C[5a]S[5a])(CCCH)3	113.6334	1.470	108	113.6334	2.162	108	113.4644	2.090	238	113.8298	3.291	816	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:C-4:	C(SiC[5a]CC)(CH3)2(H)	C(CSiCH)(H)3	Si(C[5a]N[5a]S[5a])(CCCH)3	C(SiC[5a]CC)(CH3)2(H)	C(CSiCH)(H)3	Si(C[5a]N[5a]S[5a])(CCCH)3	113.1929	1.498	88	113.1929	2.245	88	113.4644	2.090	238	113.8298	3.291	816	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:C-4:	C(SiC[6]CC)(CH3)2(H)	C(CSiCH)(H)3	Si(C[6]C[4,6]C[6])(CCCH)3	C(SiC[6]CC)(CH3)2(H)	C(CSiCH)(H)3	Si(C[6]C[4,6]C[6])(CCCH)3	113.9616	1.453	18	113.9616	2.111	18	113.7605	2.053	90	113.8298	3.291	816	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:C-4:	C(SiC[6]CC)(CH3)2(H)	C(CSiCH)(H)3	Si(C[6]C[6]2)(CCCH)3	C(SiC[6]CC)(CH3)2(H)	C(CSiCH)(H)3	Si(C[6]C[6]2)(CCCH)3	113.5971	2.001	12	113.5971	4.002	12	113.7605	2.053	90	113.8298	3.291	816	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:C-4:	C(SiC[6]CC)(CH3)2(H)	C(CSiCH)(H)3	Si(C[6]C[6]S[6])(CCCH)3	C(SiC[6]CC)(CH3)2(H)	C(CSiCH)(H)3	Si(C[6]C[6]S[6])(CCCH)3	113.6637	1.213	12	113.6637	1.472	12	113.7605	2.053	90	113.8298	3.291	816	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:C-4:	C(SiC[6]CC)(CH3)2(H)	C(CSiCH)(H)3	Si(C[6]Ga[6]C[6])(CCCH)3	C(SiC[6]CC)(CH3)2(H)	C(CSiCH)(H)3	Si(C[6]Ga[6]C[6])(CCCH)3	113.8835	1.412	24	113.8835	1.993	24	113.7605	2.053	90	113.8298	3.291	816	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:C-4:	C(SiC[6]CC)(CH3)2(H)	C(CSiCH)(H)3	Si(C[6]In[6]C[6])(CCCH)3	C(SiC[6]CC)(CH3)2(H)	C(CSiCH)(H)3	Si(C[6]In[6]C[6])(CCCH)3	113.6167	1.299	24	113.6167	1.686	24	113.7605	2.053	90	113.8298	3.291	816	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C(SiC[6a]CC)(CH3)2(H)	C(CSiCH)(H)3	Si(C[6a]C[6a]2)(CCCH)(CCHH)(CH3)	C(SiC[6a]CC)(CH3)2(H)	C(CSiCH)(H)3	Si(C[6a]C[6a]2)(CCCH)(CCHH)(CH3)	112.0885	1.890	11	112.0885	3.571	11	112.9938	4.807	19	113.8298	3.291	816	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C(SiC[6a]CC)(CH3)2(H)	C(CSiCH)(H)3	Si(C[6a]C[6a]2)(CCCH)(CH3)2	C(SiC[6a]CC)(CH3)2(H)	C(CSiCH)(H)3	Si(C[6a]C[6a]2)(CCCH)(CH3)2	112.0005	0.476	2	112.0005	0.226	2	112.9938	4.807	19	113.8298	3.291	816	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C(SiC[6a]CC)(CH3)2(H)	C(CSiCH)(H)3	Si(C[6a]C[6a]N[6a])(CCCH)3	C(SiC[6a]CC)(CH3)2(H)	C(CSiCH)(H)3	Si(C[6a]C[6a]N[6a])(CCCH)3	114.9848	1.778	6	114.9848	3.162	6	112.9938	4.807	19	113.8298	3.291	816	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:C-4:C-4:	C(SiC[6a]C[5]C)(CH3)2(H)	C(CSiCH)(H)3	Si(C[6a]C[6a]2)(C[5]C[5]2C)(CCCH)2	C(SiC[6a]C[5]C)(CH3)2(H)	C(CSiCH)(H)3	Si(C[6a]C[6a]2)(C[5]C[5]2C)(CCCH)2	114.6158	3.141	4	114.6158	9.867	4	114.0376	5.641	8	113.8298	3.291	816	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:C-4:C-4:	C(SiC[6a]C[5]C)(CH3)2(H)	C(CSiCH)(H)3	Si(C[6a]C[6a]2)(C[5]C[5]2H)(CCCH)2	C(SiC[6a]C[5]C)(CH3)2(H)	C(CSiCH)(H)3	Si(C[6a]C[6a]2)(C[5]C[5]2H)(CCCH)2	113.4595	1.551	4	113.4595	2.405	4	114.0376	5.641	8	113.8298	3.291	816	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:Si-4:C-4:C-4:	C(SiC[6a]SiC)(CH3)2(H)	C(CSiCH)(H)3	Si(C[6a]C[6a]2)(SiC[6a]CC)(CCCH)(CH3)	C(SiC[6a]SiC)(CH3)2(H)	C(CSiCH)(H)3	Si(C[6a]C[6a]2)(SiC[6a]CC)(CCCH)(CH3)	111.5274	2.090	12	111.5274	4.369	12	112.8347	4.126	27	113.8298	3.291	816	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:Si-4:C-4:C-4:	C(SiC[6a]SiC)(CH3)2(H)	C(CSiCH)(H)3	Si(C[6a]C[6a]2)(SiC[6a]CC)(CCCH)2	C(SiC[6a]SiC)(CH3)2(H)	C(CSiCH)(H)3	Si(C[6a]C[6a]2)(SiC[6a]CC)(CCCH)2	113.8805	1.262	15	113.8805	1.593	15	112.8347	4.126	27	113.8298	3.291	816	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C(SiCCN)(CH3)2(H)	C(CSiCH)(H)3	Si(NC[6]Cr)(CCCH)3	C(SiCCN)(CH3)2(H)	C(CSiCH)(H)3	Si(NC[6]Cr)(CCCH)3	114.4673	2.649	6	114.4673	7.020	6	114.4589	4.425	228	113.8298	3.291	816	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C(SiCCN)(CH3)2(H)	C(CSiCH)(H)3	Si(NC[6a]Bi)(CCCH)3	C(SiCCN)(CH3)2(H)	C(CSiCH)(H)3	Si(NC[6a]Bi)(CCCH)3	114.8208	1.987	6	114.8208	3.948	6	114.4589	4.425	228	113.8298	3.291	816	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C(SiCCN)(CH3)2(H)	C(CSiCH)(H)3	Si(NC[6a]Cr)(CCCH)3	C(SiCCN)(CH3)2(H)	C(CSiCH)(H)3	Si(NC[6a]Cr)(CCCH)3	114.8514	2.540	24	114.8514	6.453	24	114.4589	4.425	228	113.8298	3.291	816	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C(SiCCN)(CH3)2(H)	C(CSiCH)(H)3	Si(NC[6a]Fe)(CCCH)3	C(SiCCN)(CH3)2(H)	C(CSiCH)(H)3	Si(NC[6a]Fe)(CCCH)3	114.4887	2.476	12	114.4887	6.131	12	114.4589	4.425	228	113.8298	3.291	816	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C(SiCCN)(CH3)2(H)	C(CSiCH)(H)3	Si(NC[6a]Ge)(CCCH)2(CHHP)	C(SiCCN)(CH3)2(H)	C(CSiCH)(H)3	Si(NC[6a]Ge)(CCCH)2(CHHP)	114.8814	2.141	8	114.8814	4.583	8	114.4589	4.425	228	113.8298	3.291	816	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C(SiCCN)(CH3)2(H)	C(CSiCH)(H)3	Si(NC[6a]Ge)(CCCH)3	C(SiCCN)(CH3)2(H)	C(CSiCH)(H)3	Si(NC[6a]Ge)(CCCH)3	114.6127	1.712	54	114.6127	2.931	54	114.4589	4.425	228	113.8298	3.291	816	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C(SiCCN)(CH3)2(H)	C(CSiCH)(H)3	Si(NC[6a]H)(CCCH)2(CHHP)	C(SiCCN)(CH3)2(H)	C(CSiCH)(H)3	Si(NC[6a]H)(CCCH)2(CHHP)	112.5247	0.602	4	112.5247	0.363	4	114.4589	4.425	228	113.8298	3.291	816	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C(SiCCN)(CH3)2(H)	C(CSiCH)(H)3	Si(NC[6a]Mn)(CCCH)3	C(SiCCN)(CH3)2(H)	C(CSiCH)(H)3	Si(NC[6a]Mn)(CCCH)3	114.1520	2.961	6	114.1520	8.768	6	114.4589	4.425	228	113.8298	3.291	816	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C(SiCCN)(CH3)2(H)	C(CSiCH)(H)3	Si(NC[6a]Ni)(CCCH)3	C(SiCCN)(CH3)2(H)	C(CSiCH)(H)3	Si(NC[6a]Ni)(CCCH)3	114.4467	1.821	24	114.4467	3.315	24	114.4589	4.425	228	113.8298	3.291	816	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C(SiCCN)(CH3)2(H)	C(CSiCH)(H)3	Si(NC[6a]Sb)(CCCH)3	C(SiCCN)(CH3)2(H)	C(CSiCH)(H)3	Si(NC[6a]Sb)(CCCH)3	114.7732	1.447	12	114.7732	2.094	12	114.4589	4.425	228	113.8298	3.291	816	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C(SiCCN)(CH3)2(H)	C(CSiCH)(H)3	Si(NC[6a]Sn)(CCCH)3	C(SiCCN)(CH3)2(H)	C(CSiCH)(H)3	Si(NC[6a]Sn)(CCCH)3	114.1176	2.303	42	114.1176	5.302	42	114.4589	4.425	228	113.8298	3.291	816	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C(SiCCN)(CH3)2(H)	C(CSiCH)(H)3	Si(NC[6a]Zn)(CCCH)3	C(SiCCN)(CH3)2(H)	C(CSiCH)(H)3	Si(NC[6a]Zn)(CCCH)3	114.3507	2.317	30	114.3507	5.367	30	114.4589	4.425	228	113.8298	3.291	816	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:C-4:C-4:	C(SiN[5a]CC)(CH3)2(H)	C(CSiCH)(H)3	Si(N[5a]C[5a,6a]C[5a])(CCCH)3	C(SiN[5a]CC)(CH3)2(H)	C(CSiCH)(H)3	Si(N[5a]C[5a,6a]C[5a])(CCCH)3	114.5475	1.436	6	114.5475	2.061	6	113.5582	2.273	30	113.8298	3.291	816	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:C-4:C-4:	C(SiN[5a]CC)(CH3)2(H)	C(CSiCH)(H)3	Si(N[5a]C[5a]2)(CCCH)3	C(SiN[5a]CC)(CH3)2(H)	C(CSiCH)(H)3	Si(N[5a]C[5a]2)(CCCH)3	113.3109	1.449	24	113.3109	2.099	24	113.5582	2.273	30	113.8298	3.291	816	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	Si-3:C-4:C-4:C-4:	C(SiSiCC)(CH3)2(H)	C(CSiCH)(H)3	Si(SiB[5a]Si)(CSi2H)2(CCCH)	C(SiSiCC)(CH3)2(H)	C(CSiCH)(H)3	Si(SiB[5a]Si)(CSi2H)2(CCCH)	113.5105	2.114	2	113.5105	4.467	2	113.3545	2.082	14	113.8298	3.291	816	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	Si-3:C-4:C-4:C-4:	C(SiSiCC)(CH3)2(H)	C(CSiCH)(H)3	Si(SiB[6,6]Si)(CSi2H)2(CCCH)	C(SiSiCC)(CH3)2(H)	C(CSiCH)(H)3	Si(SiB[6,6]Si)(CSi2H)2(CCCH)	114.0615	0.056	2	114.0615	0.003	2	113.3545	2.082	14	113.8298	3.291	816	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	Si-3:C-4:C-4:C-4:	C(SiSiCC)(CH3)2(H)	C(CSiCH)(H)3	Si(SiC[5]Si)(CSi2H)2(CCCH)	C(SiSiCC)(CH3)2(H)	C(CSiCH)(H)3	Si(SiC[5]Si)(CSi2H)2(CCCH)	111.8135	3.217	2	111.8135	10.347	2	113.3545	2.082	14	113.8298	3.291	816	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	Si-3:C-4:C-4:C-4:	C(SiSiCC)(CH3)2(H)	C(CSiCH)(H)3	Si(SiSi2)(CCCH)3	C(SiSiCC)(CH3)2(H)	C(CSiCH)(H)3	Si(SiSi2)(CCCH)3	113.5227	1.055	6	113.5227	1.113	6	113.3545	2.082	14	113.8298	3.291	816	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	Si-3:C-4:C-4:C-4:	C(SiSiCC)(CH3)2(H)	C(CSiCH)(H)3	Si(SiSiZn)(CSi2H)2(CCCH)	C(SiSiCC)(CH3)2(H)	C(CSiCH)(H)3	Si(SiSiZn)(CSi2H)2(CCCH)	113.5280	0.810	2	113.5280	0.657	2	113.3545	2.082	14	113.8298	3.291	816	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	Si[4]-3:C-4:C-4:C-4:	C(SiSi[4]CC)(CH3)2(H)	C(CSiCH)(H)3	Si(Si[4]C[4,6]Si[4])(CSi2H)2(CCCH)	C(SiSi[4]CC)(CH3)2(H)	C(CSiCH)(H)3	Si(Si[4]C[4,6]Si[4])(CSi2H)2(CCCH)	113.3795	2.911	2	113.3795	8.475	2	113.3795	8.475	2	113.8298	3.291	816	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	Si[6]-3:C-4:C-4:C-4:	C(SiSi[6]CC)(CH3)2(H)	C(CSiCH)(H)3	Si(Si[6]Si[6]C[6])(CSi2H)2(CCCH)	C(SiSi[6]CC)(CH3)2(H)	C(CSiCH)(H)3	Si(Si[6]Si[6]C[6])(CSi2H)2(CCCH)	114.2625	1.993	4	114.2625	3.971	4	114.2625	3.971	4	113.8298	3.291	816	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	4:2:2:1:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:O-2:O-2:O-1:	C(SiO3)(CH3)2(H)	C(CSiCH)(H)3	Si(CCCH)(OSi)2(O)	C(SiO3)(CH3)2(H)	C(CSiCH)(H)3	Si(CCCH)(OSi)2(O)	111.4698	1.280	4	111.4698	1.638	4	111.4698	1.638	4	111.4698	1.638	4	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	4:2:2:2:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:O-2:O-2:O-2:	C(SiO3)(CH3)2(H)	C(CSiCH)(H)3	Si(CCCH)(OSi)2(OH)	C(SiO3)(CH3)2(H)	C(CSiCH)(H)3	Si(CCCH)(OSi)2(OH)	112.6940	1.751	4	112.6940	3.068	4	112.2437	2.433	32	112.2437	2.433	32	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	4:2:2:2:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:O-2:O-2:O-2:	C(SiO3)(CH3)2(H)	C(CSiCH)(H)3	Si(CCCH)(OSi)3	C(SiO3)(CH3)2(H)	C(CSiCH)(H)3	Si(CCCH)(OSi)3	112.1794	1.555	28	112.1794	2.419	28	112.2437	2.433	32	112.2437	2.433	32	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	4:2:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:O-2:C-4:C-4:	C(SiCCO)(CH3)2(H)	C(CSiCH)(H)3	Si(CC[6a]HH)(OC[6a])(CCCH)2	C(SiCCO)(CH3)2(H)	C(CSiCH)(H)3	Si(CC[6a]HH)(OC[6a])(CCCH)2	113.3410	0.690	4	113.3410	0.476	4	113.3410	0.476	4	113.3410	0.476	4	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	4:4:2:2:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-2:C-2:	C(SiC3)(CH3)2(H)	C(CSiCH)(H)3	Si(CCCH)2(CC)2	C(SiC3)(CH3)2(H)	C(CSiCH)(H)3	Si(CCCH)2(CC)2	111.7070	0.946	8	111.7070	0.894	8	111.7070	0.894	8	113.1304	2.912	27	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	4:4:2:2:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:O-2:	C(SiCOO)(CH3)2(H)	C(CSiCH)(H)3	Si(CCCH)2(OSi)(OC)	C(SiCOO)(CH3)2(H)	C(CSiCH)(H)3	Si(CCCH)2(OSi)(OC)	113.7212	1.033	4	113.7212	1.066	4	113.7297	2.579	19	113.1304	2.912	27	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	4:4:2:2:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:O-2:	C(SiCOO)(CH3)2(H)	C(CSiCH)(H)3	Si(CCCH)2(OSi)2	C(SiCOO)(CH3)2(H)	C(CSiCH)(H)3	Si(CCCH)2(OSi)2	113.7319	1.757	15	113.7319	3.087	15	113.7297	2.579	19	113.1304	2.912	27	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	4:4:3:2:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:C-2:	C(SiC3)(CH3)2(H)	C(CSiCH)(H)3	Si(CCCH)2(CCH)(CC)	C(SiC3)(CH3)2(H)	C(CSiCH)(H)3	Si(CCCH)2(CCH)(CC)	114.9320	5.309	4	114.9320	28.182	4	114.9320	28.182	4	114.6852	13.809	8	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	4:4:3:2:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:O-2:	C(SiCCO)(CH3)2(H)	C(CSiCH)(H)3	Si(CCCH)2(CCC)(OC)	C(SiCCO)(CH3)2(H)	C(CSiCH)(H)3	Si(CCCH)2(CCC)(OC)	114.4385	1.969	4	114.4385	3.876	4	114.4385	3.876	4	114.6852	13.809	8	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	4:4:3:3:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:N-3:	C(SiCNN)(CH3)2(H)	C(CSiCH)(H)3	Si(CCCH)2(NSiH)2	C(SiCNN)(CH3)2(H)	C(CSiCH)(H)3	Si(CCCH)2(NSiH)2	114.0555	1.335	4	114.0555	1.782	4	114.0555	1.782	4	114.0555	1.782	4	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	4:4:3:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:Si-3:C-4:	C(SiSiCC)(CH3)2(H)	C(CSiCH)(H)3	Si(CSi2H)2(SiSiC)(CCCH)	C(SiSiCC)(CH3)2(H)	C(CSiCH)(H)3	Si(CSi2H)2(SiSiC)(CCCH)	113.6491	1.669	10	113.6491	2.786	10	113.9709	3.290	22	113.9709	3.290	22	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	4:4:3:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:Si-3:C-4:	C(SiSiCC)(CH3)2(H)	C(CSiCH)(H)3	Si(CSi2H)2(SiSiH)(CCCH)	C(SiSiCC)(CH3)2(H)	C(CSiCH)(H)3	Si(CSi2H)2(SiSiH)(CCCH)	114.5340	2.069	8	114.5340	4.280	8	113.9709	3.290	22	113.9709	3.290	22	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	4:4:3:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:Si-3:C-4:	C(SiSiCC)(CH3)2(H)	C(CSiCH)(H)3	Si(CSi2H)2(SiSiN)(CCCH)	C(SiSiCC)(CH3)2(H)	C(CSiCH)(H)3	Si(CSi2H)2(SiSiN)(CCCH)	113.6492	1.832	4	113.6492	3.358	4	113.9709	3.290	22	113.9709	3.290	22	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	4:4:4:1:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C(SiCCH)(CH3)2(H)	C(CSiCH)(H)3	Si(CC[6a]HH)(CCCH)2(H)	C(SiCCH)(CH3)2(H)	C(CSiCH)(H)3	Si(CC[6a]HH)(CCCH)2(H)	111.9503	1.089	23	111.9503	1.185	23	111.9503	1.185	23	112.5859	2.918	39	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	4:4:4:1:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:S-1:	C(SiCCS)(CH3)2(H)	C(CSiCH)(H)3	Si(CCCH)3(S)	C(SiCCS)(CH3)2(H)	C(CSiCH)(H)3	Si(CCCH)3(S)	113.9693	1.944	12	113.9693	3.778	12	113.9693	3.778	12	112.5859	2.918	39	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	4:4:4:1:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:Cl-1:	C(SiC[6]ClC)(CH3)2(H)	C(CSiCH)(H)3	Si(C[6]C[6]2Mo)(CCCH)2(Cl)	C(SiC[6]ClC)(CH3)2(H)	C(CSiCH)(H)3	Si(C[6]C[6]2Mo)(CCCH)2(Cl)	112.0907	1.825	4	112.0907	3.331	4	112.0907	3.331	4	112.5859	2.918	39	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	4:4:4:2:	Si-4:C-4:C-4:C-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C(SiCCO)(CH3)2(C)	C(CSiCC)(H)3	Si(CC3)(CH3)2(OC)	C(SiCCO)(CH3)2(C)	C(CSiCC)(H)3	Si(CC3)(CH3)2(OC)	109.2450	1.308	2	109.2450	1.711	2	109.2450	1.711	2	113.2400	3.109	1482	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	4:4:4:2:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-2:	C(SiC3)(CH3)2(H)	C(CSiCH)(H)3	Si(CCCH)2(CCHH)(CC)	C(SiC3)(CH3)2(H)	C(CSiCH)(H)3	Si(CCCH)2(CCHH)(CC)	112.0955	1.307	24	112.0955	1.707	24	113.1439	3.082	1204	113.2400	3.109	1482	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	4:4:4:2:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-2:	C(SiC3)(CH3)2(H)	C(CSiCH)(H)3	Si(CCCH)3(CC)	C(SiC3)(CH3)2(H)	C(CSiCH)(H)3	Si(CCCH)3(CC)	113.1652	1.757	1180	113.1652	3.088	1180	113.1439	3.082	1204	113.2400	3.109	1482	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	4:4:4:2:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C(SiCCO)(CH3)2(H)	C(CSiCH)(H)3	Si(CCCH)2(CC3)(OH)	C(SiCCO)(CH3)2(H)	C(CSiCH)(H)3	Si(CCCH)2(CC3)(OH)	114.5122	2.440	4	114.5122	5.955	4	113.6879	2.876	236	113.2400	3.109	1482	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	4:4:4:2:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C(SiCCO)(CH3)2(H)	C(CSiCH)(H)3	Si(CCCH)3(OC)	C(SiCCO)(CH3)2(H)	C(CSiCH)(H)3	Si(CCCH)3(OC)	113.5986	1.571	196	113.5986	2.469	196	113.6879	2.876	236	113.2400	3.109	1482	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	4:4:4:2:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C(SiCCO)(CH3)2(H)	C(CSiCH)(H)3	Si(CCCH)3(OH)	C(SiCCO)(CH3)2(H)	C(CSiCH)(H)3	Si(CCCH)3(OH)	113.1905	0.885	6	113.1905	0.784	6	113.6879	2.876	236	113.2400	3.109	1482	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	4:4:4:2:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C(SiCCO)(CH3)2(H)	C(CSiCH)(H)3	Si(CCCH)3(OMo)	C(SiCCO)(CH3)2(H)	C(CSiCH)(H)3	Si(CCCH)3(OMo)	113.5983	2.291	18	113.5983	5.247	18	113.6879	2.876	236	113.2400	3.109	1482	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	4:4:4:2:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C(SiCCO)(CH3)2(H)	C(CSiCH)(H)3	Si(CCCH)3(OTi)	C(SiCCO)(CH3)2(H)	C(CSiCH)(H)3	Si(CCCH)3(OTi)	115.2562	2.090	12	115.2562	4.368	12	113.6879	2.876	236	113.2400	3.109	1482	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	4:4:4:2:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:P-2:	C(SiCCP)(CH3)2(H)	C(CSiCH)(H)3	Si(CCCH)3(PNb)	C(SiCCP)(CH3)2(H)	C(CSiCH)(H)3	Si(CCCH)3(PNb)	112.5927	1.069	6	112.5927	1.143	6	112.5927	1.143	6	113.2400	3.109	1482	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	4:4:4:2:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:S-2:	C(SiCCS)(CH3)2(H)	C(CSiCH)(H)3	Si(CCCH)3(SCu)	C(SiCCS)(CH3)2(H)	C(CSiCH)(H)3	Si(CCCH)3(SCu)	113.8346	1.250	12	113.8346	1.562	12	113.7264	2.500	24	113.2400	3.109	1482	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	4:4:4:2:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:S-2:	C(SiCCS)(CH3)2(H)	C(CSiCH)(H)3	Si(CCCH)3(SFe)	C(SiCCS)(CH3)2(H)	C(CSiCH)(H)3	Si(CCCH)3(SFe)	113.6183	1.908	12	113.6183	3.639	12	113.7264	2.500	24	113.2400	3.109	1482	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	4:4:4:2:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:Si-2:	C(SiSiCC)(CH3)2(H)	C(CSiCH)(H)3	Si(CSi2H)2(CCCH)(SiSi)	C(SiSiCC)(CH3)2(H)	C(CSiCH)(H)3	Si(CSi2H)2(CCCH)(SiSi)	114.2546	2.306	10	114.2546	5.317	10	114.2546	5.317	10	113.2400	3.109	1482	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	4:4:4:3:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C(SiC3)(CH3)2(H)	C(CSiCH)(H)3	Si(CCCH)3(CAlC)	C(SiC3)(CH3)2(H)	C(CSiCH)(H)3	Si(CCCH)3(CAlC)	113.9728	1.445	36	113.9728	2.088	36	113.8694	3.371	114	113.8368	3.155	138	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	4:4:4:3:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C(SiC3)(CH3)2(H)	C(CSiCH)(H)3	Si(CCCH)3(CBiC)	C(SiC3)(CH3)2(H)	C(CSiCH)(H)3	Si(CCCH)3(CBiC)	113.5247	1.520	30	113.5247	2.310	30	113.8694	3.371	114	113.8368	3.155	138	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	4:4:4:3:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C(SiC3)(CH3)2(H)	C(CSiCH)(H)3	Si(CCCH)3(CCC)	C(SiC3)(CH3)2(H)	C(CSiCH)(H)3	Si(CCCH)3(CCC)	114.0074	2.241	48	114.0074	5.020	48	113.8694	3.371	114	113.8368	3.155	138	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	4:4:4:3:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C(SiCCN)(CH3)2(H)	C(CSiCH)(H)3	Si(CCCH)3(NCH)	C(SiCCN)(CH3)2(H)	C(CSiCH)(H)3	Si(CCCH)3(NCH)	113.5023	1.355	12	113.5023	1.837	12	113.5023	1.837	12	113.8368	3.155	138	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	4:4:4:3:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-3:	C(SiCCO)(CH3)2(H)	C(CSiCH)(H)3	Si(CCCH)3(OLiC)	C(SiCCO)(CH3)2(H)	C(CSiCH)(H)3	Si(CCCH)3(OLiC)	113.8617	1.644	12	113.8617	2.702	12	113.8617	2.702	12	113.8368	3.155	138	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(SiC3)(CH3)2(H)	C(CSiCH)(H)3	Si(CAlIrC)(CCCH)3	C(SiC3)(CH3)2(H)	C(CSiCH)(H)3	Si(CAlIrC)(CCCH)3	113.4998	2.301	12	113.4998	5.297	12	114.0714	3.321	261	113.9488	3.221	643	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(SiC3)(CH3)2(H)	C(CSiCH)(H)3	Si(CAlRhC)(CCCH)3	C(SiC3)(CH3)2(H)	C(CSiCH)(H)3	Si(CAlRhC)(CCCH)3	113.7418	2.095	12	113.7418	4.390	12	114.0714	3.321	261	113.9488	3.221	643	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(SiC3)(CH3)2(H)	C(CSiCH)(H)3	Si(CAlZrC)(CCCH)3	C(SiC3)(CH3)2(H)	C(CSiCH)(H)3	Si(CAlZrC)(CCCH)3	114.9047	1.754	24	114.9047	3.075	24	114.0714	3.321	261	113.9488	3.221	643	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(SiC3)(CH3)2(H)	C(CSiCH)(H)3	Si(CCCH)3(CCCU)	C(SiC3)(CH3)2(H)	C(CSiCH)(H)3	Si(CCCH)3(CCCU)	114.1444	1.883	143	114.1444	3.546	143	114.0714	3.321	261	113.9488	3.221	643	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(SiC3)(CH3)2(H)	C(CSiCH)(H)3	Si(CCCH)3(CCHH)	C(SiC3)(CH3)2(H)	C(CSiCH)(H)3	Si(CCCH)3(CCHH)	113.5768	1.588	18	113.5768	2.522	18	114.0714	3.321	261	113.9488	3.221	643	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(SiC3)(CH3)2(H)	C(CSiCH)(H)3	Si(CC[5]HH)(CCCH)3	C(SiC3)(CH3)2(H)	C(CSiCH)(H)3	Si(CC[5]HH)(CCCH)3	114.2393	1.514	6	114.2393	2.291	6	114.0714	3.321	261	113.9488	3.221	643	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(SiC3)(CH3)2(H)	C(CSiCH)(H)3	Si(CC[6]HH)(CCCH)3	C(SiC3)(CH3)2(H)	C(CSiCH)(H)3	Si(CC[6]HH)(CCCH)3	113.7925	1.381	11	113.7925	1.906	11	114.0714	3.321	261	113.9488	3.221	643	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(SiC3)(CH3)2(H)	C(CSiCH)(H)3	Si(CC[6a]HO)(CCCH)3	C(SiC3)(CH3)2(H)	C(CSiCH)(H)3	Si(CC[6a]HO)(CCCH)3	113.7630	1.149	6	113.7630	1.320	6	114.0714	3.321	261	113.9488	3.221	643	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(SiC3)(CH3)2(H)	C(CSiCH)(H)3	Si(CRu2C)(CCCH)3	C(SiC3)(CH3)2(H)	C(CSiCH)(H)3	Si(CRu2C)(CCCH)3	113.6873	1.527	6	113.6873	2.332	6	114.0714	3.321	261	113.9488	3.221	643	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(SiC3)(CH3)2(H)	C(CSiCH)(H)3	Si(CThCC)(CCCH)3	C(SiC3)(CH3)2(H)	C(CSiCH)(H)3	Si(CThCC)(CCCH)3	113.8751	1.659	23	113.8751	2.753	23	114.0714	3.321	261	113.9488	3.221	643	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[4]-4:C-4:C-4:C-4:	C(SiC[4]CC)(CH3)2(H)	C(CSiCH)(H)3	Si(C[4]C[4]2H)(CCCH)3	C(SiC[4]CC)(CH3)2(H)	C(CSiCH)(H)3	Si(C[4]C[4]2H)(CCCH)3	114.2168	0.975	12	114.2168	0.950	12	114.2168	0.950	12	113.9488	3.221	643	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,5]-4:C-4:C-4:C-4:	C(SiC[5,5]CC)(CH3)2(H)	C(CSiCH)(H)3	Si(C[5,5]C[5,5]C[5]2)(CCCH)3	C(SiC[5,5]CC)(CH3)2(H)	C(CSiCH)(H)3	Si(C[5,5]C[5,5]C[5]2)(CCCH)3	114.4235	2.455	24	114.4235	6.028	24	114.4235	6.028	24	113.9488	3.221	643	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C(SiC[5]CC)(CH3)2(H)	C(CSiCH)(H)3	Si(C[5]C[5,5]C[5]Ti)(CCCH)3	C(SiC[5]CC)(CH3)2(H)	C(CSiCH)(H)3	Si(C[5]C[5,5]C[5]Ti)(CCCH)3	113.9216	1.716	216	113.9216	2.946	216	113.8925	2.829	234	113.9488	3.221	643	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C(SiC[5]CC)(CH3)2(H)	C(CSiCH)(H)3	Si(C[5]C[5,6a]C[5,5]H)(CCCH)3	C(SiC[5]CC)(CH3)2(H)	C(CSiCH)(H)3	Si(C[5]C[5,6a]C[5,5]H)(CCCH)3	114.3780	0.981	6	114.3780	0.963	6	113.8925	2.829	234	113.9488	3.221	643	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C(SiC[5]CC)(CH3)2(H)	C(CSiCH)(H)3	Si(C[5]C[5]2Co)(CC[4]HH)(CCCH)2	C(SiC[5]CC)(CH3)2(H)	C(CSiCH)(H)3	Si(C[5]C[5]2Co)(CC[4]HH)(CCCH)2	112.8360	1.341	4	112.8360	1.798	4	113.8925	2.829	234	113.9488	3.221	643	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C(SiC[5]CC)(CH3)2(H)	C(CSiCH)(H)3	Si(C[5]C[5]2Cr)(CCCH)(CH3)2	C(SiC[5]CC)(CH3)2(H)	C(CSiCH)(H)3	Si(C[5]C[5]2Cr)(CCCH)(CH3)2	112.2020	0.403	2	112.2020	0.162	2	113.8925	2.829	234	113.9488	3.221	643	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C(SiC[5]CC)(CH3)2(H)	C(CSiCH)(H)3	Si(C[5]C[5]P[5]Ru)(CCCH)3	C(SiC[5]CC)(CH3)2(H)	C(CSiCH)(H)3	Si(C[5]C[5]P[5]Ru)(CCCH)3	113.6273	0.796	6	113.6273	0.634	6	113.8925	2.829	234	113.9488	3.221	643	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C(SiC[6]CC)(CH3)2(H)	C(CSiCH)(H)3	Si(C[6]C[6]2Fe)(CCCH)3	C(SiC[6]CC)(CH3)2(H)	C(CSiCH)(H)3	Si(C[6]C[6]2Fe)(CCCH)3	114.1648	1.489	12	114.1648	2.218	12	114.1648	2.218	12	113.9488	3.221	643	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	Ge-4:C-4:C-4:C-4:	C(SiGeCC)(CH3)2(H)	C(CSiCH)(H)3	Si(GeGe3)(CCCH)3	C(SiGeCC)(CH3)2(H)	C(CSiCH)(H)3	Si(GeGe3)(CCCH)3	112.9768	2.882	5	112.9768	8.307	5	113.0744	7.158	7	113.9488	3.221	643	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	Ge-4:C-4:C-4:C-4:	C(SiGeCC)(CH3)2(H)	C(CSiCH)(H)3	Si(GeSi3)(CCCH)3	C(SiGeCC)(CH3)2(H)	C(CSiCH)(H)3	Si(GeSi3)(CCCH)3	113.3185	3.091	2	113.3185	9.553	2	113.0744	7.158	7	113.9488	3.221	643	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C(SiCCP)(CH3)2(H)	C(CSiCH)(H)3	Si(PLi2Sr)(CCCH)3	C(SiCCP)(CH3)2(H)	C(CSiCH)(H)3	Si(PLi2Sr)(CCCH)3	114.6467	1.977	17	114.6467	3.908	17	114.6467	3.908	17	113.9488	3.221	643	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C(SiSiCC)(CH3)2(H)	C(CSiCH)(H)3	Si(SiBrSi2)(CCCH)3	C(SiSiCC)(CH3)2(H)	C(CSiCH)(H)3	Si(SiBrSi2)(CCCH)3	114.6544	1.477	18	114.6544	2.183	18	114.3356	3.063	22	113.9488	3.221	643	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C(SiSiCC)(CH3)2(H)	C(CSiCH)(H)3	Si(SiSiCH)(CSi2H)2(CCCH)	C(SiSiCC)(CH3)2(H)	C(CSiCH)(H)3	Si(SiSiCH)(CSi2H)2(CCCH)	113.2600	2.734	2	113.2600	7.473	2	114.3356	3.063	22	113.9488	3.221	643	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C(SiSiCC)(CH3)2(H)	C(CSiCH)(H)3	Si(SiSi[3]LiH)(CSi2H)2(CCCH)	C(SiSiCC)(CH3)2(H)	C(CSiCH)(H)3	Si(SiSi[3]LiH)(CSi2H)2(CCCH)	112.5420	3.028	2	112.5420	9.168	2	114.3356	3.063	22	113.9488	3.221	643	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	Si-4:Si-4:C-4:C-4:	C(SiSi2C)(CH3)2(H)	C(CSiCH)(H)3	Si(SiC[5]CC)2(CCCH)2	C(SiSi2C)(CH3)2(H)	C(CSiCH)(H)3	Si(SiC[5]CC)2(CCCH)2	113.4610	1.942	4	113.4610	3.773	4	113.4610	3.773	4	113.9488	3.221	643	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	Si[3]-4:C-4:C-4:C-4:	C(SiSi[3]CC)(CH3)2(H)	C(CSiCH)(H)3	Si(Si[3]Si[3]2Si)(CCCH)2(CH3)	C(SiSi[3]CC)(CH3)2(H)	C(CSiCH)(H)3	Si(Si[3]Si[3]2Si)(CCCH)2(CH3)	112.9303	1.540	48	112.9303	2.373	48	112.9303	2.373	48	113.9488	3.221	643	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	Si[4]-4:C-4:C-4:C-4:	C(SiSi[4]CC)(CH3)2(H)	C(CSiCH)(H)3	Si(Si[4]N[4,6]Si[4]H)(CSi2H)2(CCCH)	C(SiSi[4]CC)(CH3)2(H)	C(CSiCH)(H)3	Si(Si[4]N[4,6]Si[4]H)(CSi2H)2(CCCH)	114.2185	0.361	2	114.2185	0.131	2	114.2185	0.131	2	113.9488	3.221	643	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:3:1:1:	3:3:3:4:	Si-4:Si-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(SiC[6a]CC)(SiC[6a]3)(CCHH)(H)	C(CSi2H)(CHO)(H)2	Si(C[6a]C[6a]2)3(CSiCH)	C(SiC[6a]CC)(SiC[6a]3)(CCHH)(H)	C(CSi2H)(CHO)(H)2	Si(C[6a]C[6a]2)3(CSiCH)	110.1190	0.000	1	110.1190	0.000	1	110.1190	0.000	1	110.1190	0.000	1	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:3:1:1:	3:4:4:4:	C[5]-4:Si-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C(C[5]C[5]2H)(SiC[6a]CC)(CCHH)(H)	C(CC[5]SiH)(CC[5]O)(H)2	Si(C[6a]C[6a]2)(CC[5]CH)(CH3)2	C(C[5]C[5]2H)(SiC[6a]CC)(CCHH)(H)	C(CC[5]SiH)(CC[5]O)(H)2	Si(C[6a]C[6a]2)(CC[5]CH)(CH3)2	115.3960	0.000	1	115.3960	0.000	1	115.3960	0.000	1	116.5000	2.438	2	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:3:1:1:	3:4:4:4:	Si-4:Si-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C(SiC[6a]CC)(SiC[6a]3)(CCHH)(H)	C(CSi2H)(CHO)(H)2	Si(C[6a]C[6a]2)(CSiCH)(CC3)(CH3)	C(SiC[6a]CC)(SiC[6a]3)(CCHH)(H)	C(CSi2H)(CHO)(H)2	Si(C[6a]C[6a]2)(CSiCH)(CC3)(CH3)	117.6040	0.000	1	117.6040	0.000	1	117.6040	0.000	1	116.5000	2.438	2	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:3:1:1:	4:4:4:4:	C-4:C-4:Si-4:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CN[5]CH)(CCHH)(SiC3)(H)	C(CSiCH)(COO)(H)2	Si(CCCH)(CH3)3	C(CN[5]CH)(CCHH)(SiC3)(H)	C(CSiCH)(COO)(H)2	Si(CCCH)(CH3)3	114.4900	0.000	1	114.4900	0.000	1	114.4900	0.000	1	114.4900	0.000	1	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:1:	4:4:1:1:	4:4:4:4:	C-4:P-4:Si-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(PBCC)(SiC3)(H)	C(CSiHP)(CCHH)(H)2	Si(CCHP)(CH3)3	C(CCHH)(PBCC)(SiC3)(H)	C(CSiHP)(CCHH)(H)2	Si(CCHP)(CH3)3	108.8000	0.000	1	108.8000	0.000	1	108.8000	0.000	1	108.8000	0.000	1	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:2:	4:4:1:1:	4:4:4:4:	C-4:C-4:Si-4:O-2:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(CCHO)(SiC3)(OH)	C(CSiCO)(CCHH)(H)2	Si(CCCO)(CH3)3	C(CCHH)(CCHO)(SiC3)(OH)	C(CSiCO)(CCHH)(H)2	Si(CCCO)(CH3)3	109.1510	0.000	1	109.1510	0.000	1	109.1510	0.000	1	109.1510	0.000	1	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:2:	4:4:2:1:	4:4:4:4:	C-4:C-4:Si-4:O-2:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(CCHO)(SiC3)(OH)	C(CSiCO)(CHHO)(OC)(H)	Si(CCCO)(CH3)3	C(CCHH)(CCHO)(SiC3)(OH)	C(CSiCO)(CHHO)(OC)(H)	Si(CCCO)(CH3)3	116.1920	0.000	1	116.1920	0.000	1	116.1920	0.000	1	116.1920	0.000	1	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:3:	4:1:1:1:	2:4:4:4:	Si-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-4:	C(SiCCO)(CH3)2(CHH)	C(CSiCC)(H)3	Si(OC[5])(CC3)(CH3)2	C(SiCCO)(CH3)2(CHH)	C(CSiCC)(H)3	Si(OC[5])(CC3)(CH3)2	109.4180	0.880	2	109.4180	0.774	2	109.4180	0.774	2	109.4180	0.774	2	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:3:	4:1:1:1:	3:3:2:4:	Si-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:C-4:	C(SiC[6a]2O)(CH3)2(CHH)	C(CSiCC)(H)3	Si(C[6a]C[6a]2)2(OC[6])(CC3)	C(SiC[6a]2O)(CH3)2(CHH)	C(CSiCC)(H)3	Si(C[6a]C[6a]2)2(OC[6])(CC3)	109.9975	1.200	2	109.9975	1.440	2	109.9975	1.440	2	109.9975	1.440	2	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:3:	4:1:1:1:	3:4:4:3:	Si-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-3:	C(SiCCN)(CH3)2(CHH)	C(CSiCC)(H)3	Si(NC[6]Mo)(CC3)(CH3)(CHH)	C(SiCCN)(CH3)2(CHH)	C(CSiCC)(H)3	Si(NC[6]Mo)(CC3)(CH3)(CHH)	109.3880	0.301	2	109.3880	0.091	2	109.3880	0.091	2	109.3880	0.091	2	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:3:	4:1:1:1:	4:4:4:2:	Si-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C(SiCCO)(CH3)2(CHH)	C(CSiCC)(H)3	Si(CC3)3(OCr)	C(SiCCO)(CH3)2(CHH)	C(CSiCC)(H)3	Si(CC3)3(OCr)	110.4420	0.455	2	110.4420	0.207	2	110.4420	0.207	2	110.4420	0.207	2	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:3:	4:1:1:1:	4:4:4:4:	C-4:Si-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHN)(SiC3)(CH3)(CCH)	C(CSiCC)(H)3	Si(CC3)(CH3)3	C(CCHN)(SiC3)(CH3)(CCH)	C(CSiCC)(H)3	Si(CC3)(CH3)3	106.9920	0.112	2	106.9920	0.012	2	106.9920	0.012	2	106.9920	0.012	2	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:3:	4:4:2:1:	4:4:4:4:	C-4:Si-4:C-4:C-3:	C-4:C-4:N-2:H-1:	C-4:C-4:C-4:C-4:	C(CCHN)(SiC3)(CH3)(CCH)	C(CSiCC)(CCHH)(NP)(H)	Si(CC3)(CH3)3	C(CCHN)(SiC3)(CH3)(CCH)	C(CSiCC)(CCHH)(NP)(H)	Si(CC3)(CH3)3	113.3050	0.000	1	113.3050	0.000	1	113.3050	0.000	1	113.3050	0.000	1	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:3:	4:4:3:1:	4:4:4:4:	C-4:Si-4:C-4:C-3:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-4:	C(CCHN)(SiC3)(CH3)(CCH)	C(CSiCC)(CCHH)(NHP)(H)	Si(CC3)(CH3)3	C(CCHN)(SiC3)(CH3)(CCH)	C(CSiCC)(CCHH)(NHP)(H)	Si(CC3)(CH3)3	113.6180	0.000	1	113.6180	0.000	1	113.6180	0.000	1	113.6180	0.000	1	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	2:4:4:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:O-1:	C(SiCOO)(CH3)3	C(CSiCC)(H)3	Si(OC[5])(CC3)2(O)	C(SiCOO)(CH3)3	C(CSiCC)(H)3	Si(OC[5])(CC3)2(O)	110.4285	2.934	6	110.4285	8.609	6	110.4285	8.609	6	110.4285	8.609	6	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	2:4:4:2:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:O-2:	C(SiCOO)(CH3)3	C(CSiCC)(H)3	Si(OC[5])(CC3)2(OH)	C(SiCOO)(CH3)3	C(CSiCC)(H)3	Si(OC[5])(CC3)2(OH)	110.1682	2.190	18	110.1682	4.797	18	110.1682	4.797	18	110.1682	4.797	18	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	2:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-4:	C(SiCCO)(CH3)3	C(CSiCC)(H)3	Si(OC[3,5])(CC3)(CH3)2	C(SiCCO)(CH3)3	C(CSiCC)(H)3	Si(OC[3,5])(CC3)(CH3)2	110.1255	0.303	6	110.1255	0.092	6	109.9613	1.524	1000	110.0011	1.746	1027	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	2:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-4:	C(SiCCO)(CH3)3	C(CSiCC)(H)3	Si(OC[3,6])(CC3)(CH3)2	C(SiCCO)(CH3)3	C(CSiCC)(H)3	Si(OC[3,6])(CC3)(CH3)2	109.8973	0.359	3	109.8973	0.129	3	109.9613	1.524	1000	110.0011	1.746	1027	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	2:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-4:	C(SiCCO)(CH3)3	C(CSiCC)(H)3	Si(OC[3])(CC3)(CH3)2	C(SiCCO)(CH3)3	C(CSiCC)(H)3	Si(OC[3])(CC3)(CH3)2	109.6233	0.202	3	109.6233	0.041	3	109.9613	1.524	1000	110.0011	1.746	1027	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	2:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-4:	C(SiCCO)(CH3)3	C(CSiCC)(H)3	Si(OC[3x6])(CC3)(CH3)2	C(SiCCO)(CH3)3	C(CSiCC)(H)3	Si(OC[3x6])(CC3)(CH3)2	109.2943	1.478	9	109.2943	2.184	9	109.9613	1.524	1000	110.0011	1.746	1027	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	2:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-4:	C(SiCCO)(CH3)3	C(CSiCC)(H)3	Si(OC[4])(CC3)(CH3)2	C(SiCCO)(CH3)3	C(CSiCC)(H)3	Si(OC[4])(CC3)(CH3)2	110.0473	0.642	9	110.0473	0.412	9	109.9613	1.524	1000	110.0011	1.746	1027	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	2:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-4:	C(SiCCO)(CH3)3	C(CSiCC)(H)3	Si(OC[5,5])(CC3)(CH3)2	C(SiCCO)(CH3)3	C(CSiCC)(H)3	Si(OC[5,5])(CC3)(CH3)2	110.0199	0.403	9	110.0199	0.162	9	109.9613	1.524	1000	110.0011	1.746	1027	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	2:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-4:	C(SiCCO)(CH3)3	C(CSiCC)(H)3	Si(OC[5,6,6])(CC3)(CH3)2	C(SiCCO)(CH3)3	C(CSiCC)(H)3	Si(OC[5,6,6])(CC3)(CH3)2	110.5540	1.398	3	110.5540	1.956	3	109.9613	1.524	1000	110.0011	1.746	1027	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	2:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-4:	C(SiCCO)(CH3)3	C(CSiCC)(H)3	Si(OC[5,6])(CC3)(CH3)2	C(SiCCO)(CH3)3	C(CSiCC)(H)3	Si(OC[5,6])(CC3)(CH3)2	110.0171	0.939	18	110.0171	0.881	18	109.9613	1.524	1000	110.0011	1.746	1027	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	2:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-4:	C(SiCCO)(CH3)3	C(CSiCC)(H)3	Si(OC[5])(CC3)(CH3)2	C(SiCCO)(CH3)3	C(CSiCC)(H)3	Si(OC[5])(CC3)(CH3)2	109.8985	1.364	242	109.8985	1.860	242	109.9613	1.524	1000	110.0011	1.746	1027	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	2:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-4:	C(SiCCO)(CH3)3	C(CSiCC)(H)3	Si(OC[6,6])(CC3)(CH3)2	C(SiCCO)(CH3)3	C(CSiCC)(H)3	Si(OC[6,6])(CC3)(CH3)2	109.9485	0.961	22	109.9485	0.924	22	109.9613	1.524	1000	110.0011	1.746	1027	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	2:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-4:	C(SiCCO)(CH3)3	C(CSiCC)(H)3	Si(OC[6])(CC3)(CH3)2	C(SiCCO)(CH3)3	C(CSiCC)(H)3	Si(OC[6])(CC3)(CH3)2	109.9193	1.245	500	109.9193	1.550	500	109.9613	1.524	1000	110.0011	1.746	1027	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	2:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-4:	C(SiCCO)(CH3)3	C(CSiCC)(H)3	Si(OC[6a])(CC3)(CH3)2	C(SiCCO)(CH3)3	C(CSiCC)(H)3	Si(OC[6a])(CC3)(CH3)2	109.8947	1.023	113	109.8947	1.047	113	109.9613	1.524	1000	110.0011	1.746	1027	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	2:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-4:	C(SiCCO)(CH3)3	C(CSiCC)(H)3	Si(OC[6a])(CCHH)(CC3)2	C(SiCCO)(CH3)3	C(CSiCC)(H)3	Si(OC[6a])(CCHH)(CC3)2	110.7908	0.830	6	110.7908	0.689	6	109.9613	1.524	1000	110.0011	1.746	1027	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	2:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-4:	C(SiCCO)(CH3)3	C(CSiCC)(H)3	Si(ON[5])(CC3)(CH3)2	C(SiCCO)(CH3)3	C(CSiCC)(H)3	Si(ON[5])(CC3)(CH3)2	109.9882	0.503	30	109.9882	0.253	30	109.9613	1.524	1000	110.0011	1.746	1027	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	2:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-4:	C(SiCCO)(CH3)3	C(CSiCC)(H)3	Si(OSi[3,3])(CC3)3	C(SiCCO)(CH3)3	C(CSiCC)(H)3	Si(OSi[3,3])(CC3)3	111.4428	1.452	9	111.4428	2.108	9	109.9613	1.524	1000	110.0011	1.746	1027	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	2:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-4:	C(SiCCO)(CH3)3	C(CSiCC)(H)3	Si(OSi[4])(CC3)3	C(SiCCO)(CH3)3	C(CSiCC)(H)3	Si(OSi[4])(CC3)3	111.4632	1.138	18	111.4632	1.295	18	109.9613	1.524	1000	110.0011	1.746	1027	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	2:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si-2:C-4:C-4:C-4:	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiHf)(CC3)2(CH3)	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiHf)(CC3)2(CH3)	111.5802	3.187	6	111.5802	10.155	6	111.4749	8.051	27	110.0011	1.746	1027	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	2:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si-2:C-4:C-4:C-4:	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiSi)(CC3)2(CH3)	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiSi)(CC3)2(CH3)	110.9980	3.088	12	110.9980	9.538	12	111.4749	8.051	27	110.0011	1.746	1027	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	2:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si-2:C-4:C-4:C-4:	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiSi)(CC3)3	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiSi)(CC3)3	112.0406	2.448	9	112.0406	5.995	9	111.4749	8.051	27	110.0011	1.746	1027	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:2:4:2:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:O-2:C-4:O-2:	C(SiC[6a]OO)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)(OC[5])(CC3)(OC)	C(SiC[6a]OO)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)(OC[5])(CC3)(OC)	109.9603	0.730	3	109.9603	0.532	3	109.8247	0.413	6	109.8247	0.413	6	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:2:4:2:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:O-2:C-4:O-2:	C(SiC[6a]OO)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)(OC[6])(CC3)(OH)	C(SiC[6a]OO)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)(OC[6])(CC3)(OH)	109.6890	0.666	3	109.6890	0.444	3	109.8247	0.413	6	109.8247	0.413	6	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:2:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:O-2:C-4:C-4:	C(SiC[6a]CO)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)(OC[6a])(CC3)(CH3)	C(SiC[6a]CO)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)(OC[6a])(CC3)(CH3)	109.8233	0.072	3	109.8233	0.005	3	109.8233	0.005	3	109.8233	0.005	3	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:3:2:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:C-4:	C(SiC[6a]2O)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)2(OC[5])(CC3)	C(SiC[6a]2O)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)2(OC[5])(CC3)	110.0252	1.648	53	110.0252	2.716	53	110.0986	2.573	103	110.0986	2.573	103	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:3:2:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:C-4:	C(SiC[6a]2O)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)2(OC[6])(CC3)	C(SiC[6a]2O)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)2(OC[6])(CC3)	110.2961	1.683	27	110.2961	2.832	27	110.0986	2.573	103	110.0986	2.573	103	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:3:2:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:C-4:	C(SiC[6a]2O)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)2(OC[6a])(CC3)	C(SiC[6a]2O)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)2(OC[6a])(CC3)	110.0161	1.237	20	110.0161	1.531	20	110.0986	2.573	103	110.0986	2.573	103	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:3:2:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:C-4:	C(SiC[6a]2O)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)2(OP[5,3x6])(CC3)	C(SiC[6a]2O)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)2(OP[5,3x6])(CC3)	110.1673	2.912	3	110.1673	8.482	3	110.0986	2.573	103	110.0986	2.573	103	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:3:3:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:C-4:	C(SiC[6a]2C)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)2(CC[3]C)(CC3)	C(SiC[6a]2C)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)2(CC[3]C)(CC3)	110.5390	2.727	6	110.5390	7.436	6	110.2561	4.011	21	110.2825	2.934	81	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:3:3:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:C-4:	C(SiC[6a]2C)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)2(CC[5]C)(CC3)	C(SiC[6a]2C)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)2(CC[5]C)(CC3)	110.4457	1.834	3	110.4457	3.365	3	110.2561	4.011	21	110.2825	2.934	81	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:3:3:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:C-4:	C(SiC[6a]2C)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)2(CC[5]H)(CC3)	C(SiC[6a]2C)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)2(CC[5]H)(CC3)	109.8347	2.435	6	109.8347	5.930	6	110.2561	4.011	21	110.2825	2.934	81	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:3:3:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:C-4:	C(SiC[6a]2C)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)2(CC[5]N)(CC3)	C(SiC[6a]2C)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)2(CC[5]N)(CC3)	110.2040	0.390	3	110.2040	0.152	3	110.2561	4.011	21	110.2825	2.934	81	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:3:3:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:C-4:	C(SiC[6a]2C)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)2(CC[6]H)(CC3)	C(SiC[6a]2C)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)2(CC[6]H)(CC3)	110.3957	1.522	3	110.3957	2.318	3	110.2561	4.011	21	110.2825	2.934	81	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:3:3:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(SiC[6a]3)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(CC3)	C(SiC[6a]3)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(CC3)	110.2012	1.858	6	110.2012	3.452	6	110.4238	2.625	18	110.2825	2.934	81	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:3:3:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(SiC[6a]3)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)3(CC3)	C(SiC[6a]3)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)3(CC3)	110.5352	1.565	12	110.5352	2.448	12	110.4238	2.625	18	110.2825	2.934	81	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:3:3:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:In-3:C-4:	C(SiC[6a]2In)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)2(InSi2)(CC3)	C(SiC[6a]2In)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)2(InSi2)(CC3)	110.0243	0.803	9	110.0243	0.646	9	110.0243	0.646	9	110.2825	2.934	81	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:3:3:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N[4]-3:C-4:	C(SiC[6a]2N[4])(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)2(N[4]Si[4]2)(CC3)	C(SiC[6a]2N[4])(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)2(N[4]Si[4]2)(CC3)	110.1793	2.367	3	110.1793	5.602	3	110.1793	5.602	3	110.2825	2.934	81	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:3:3:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:C-4:	C(SiC[6a]2P)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)2(PAl2)(CC3)	C(SiC[6a]2P)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)2(PAl2)(CC3)	110.3425	1.893	15	110.3425	3.583	15	110.3425	3.583	15	110.2825	2.934	81	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:3:3:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:P[4]-3:C-4:	C(SiC[6a]2P[4])(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)2(P[4]Ga[4]2)(CC3)	C(SiC[6a]2P[4])(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)2(P[4]Ga[4]2)(CC3)	110.2656	1.738	15	110.2656	3.021	15	110.2656	3.021	15	110.2825	2.934	81	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:3:4:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:F-1:	C(SiC[6a]2F)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)2(CC3)(F)	C(SiC[6a]2F)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)2(CC3)(F)	109.7363	1.181	3	109.7363	1.394	3	109.7363	1.394	3	109.7363	1.394	3	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:3:4:2:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-3:C-4:O-2:	C(SiC[6a]CO)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)(CC[6a]C[5])(CC3)(OH)	C(SiC[6a]CO)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)(CC[6a]C[5])(CC3)(OH)	110.7603	4.502	3	110.7603	20.264	3	110.7603	20.264	3	110.1374	3.157	248	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:3:4:2:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-2:	C(SiC[6a]2C)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)2(CC3)(CC)	C(SiC[6a]2C)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)2(CC3)(CC)	109.9510	0.672	3	109.9510	0.452	3	109.9510	0.452	3	110.1374	3.157	248	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:3:4:2:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C(SiC[6a]2O)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)2(CC3)(OC)	C(SiC[6a]2O)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)2(CC3)(OC)	110.1445	1.769	230	110.1445	3.131	230	110.1320	3.092	239	110.1374	3.157	248	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:3:4:2:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C(SiC[6a]2O)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)2(CC3)(OMo)	C(SiC[6a]2O)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)2(CC3)(OMo)	109.8128	1.500	9	109.8128	2.249	9	110.1320	3.092	239	110.1374	3.157	248	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:3:4:2:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[5]-3:O-3:C-4:O-2:	C(SiN[5]OO)(CH3)3	C(CSiCC)(H)3	Si(N[5]C[5]2)(OLiC)(CC3)(OC)	C(SiN[5]OO)(CH3)3	C(CSiCC)(H)3	Si(N[5]C[5]2)(OLiC)(CC3)(OC)	110.1300	0.796	3	110.1300	0.634	3	110.1300	0.634	3	110.1374	3.157	248	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:3:4:3:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-3:	C(SiC[6a]2C)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)2(CC3)(CCC)	C(SiC[6a]2C)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)2(CC3)(CCC)	109.9969	1.394	9	109.9969	1.944	9	110.0598	1.978	12	110.0598	1.978	12	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:3:4:3:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-3:	C(SiC[6a]2C)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)2(CC3)(CHN)	C(SiC[6a]2C)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)2(CC3)(CHN)	110.2483	1.741	3	110.2483	3.031	3	110.0598	1.978	12	110.0598	1.978	12	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:3:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C(SiC[6a]2C)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)2(CC3)(CH3)	C(SiC[6a]2C)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)2(CC3)(CH3)	110.5790	2.791	6	110.5790	7.788	6	110.5121	5.798	33	110.5811	6.230	54	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:3:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C(SiC[6a]2C)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)2(CCHH)(CC3)	C(SiC[6a]2C)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)2(CCHH)(CC3)	110.4621	2.042	9	110.4621	4.169	9	110.5121	5.798	33	110.5811	6.230	54	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:3:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C(SiC[6a]2C)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)2(CC[4]HH)(CC3)	C(SiC[6a]2C)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)2(CC[4]HH)(CC3)	110.3533	1.907	9	110.3533	3.635	9	110.5121	5.798	33	110.5811	6.230	54	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:3:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C(SiC[6a]2C)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)2(CC[6]CH)(CC3)	C(SiC[6a]2C)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)2(CC[6]CH)(CC3)	110.7302	3.784	6	110.7302	14.322	6	110.5121	5.798	33	110.5811	6.230	54	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:3:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C(SiC[6a]2C)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)2(CC[6]HH)(CC3)	C(SiC[6a]2C)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)2(CC[6]HH)(CC3)	110.5683	2.449	3	110.5683	5.995	3	110.5121	5.798	33	110.5811	6.230	54	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:3:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:C-4:	C(SiC[6a]2C[5])(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)2(C[5]C[5]2H)(CC3)	C(SiC[6a]2C[5])(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)2(C[5]C[5]2H)(CC3)	110.5697	3.084	12	110.5697	9.510	12	110.5697	9.510	12	110.5811	6.230	54	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:3:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:Si-4:C-4:	C(SiC[6a]2Si)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)2(SiC[6a]2C)(CC3)	C(SiC[6a]2Si)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)2(SiC[6a]2C)(CC3)	110.3973	1.998	3	110.3973	3.992	3	110.3973	3.992	3	110.5811	6.230	54	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:3:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:P-3:C-4:C-4:	C(SiC[6a]CP)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)(PGaH)(CC3)2	C(SiC[6a]CP)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)(PGaH)(CC3)2	111.0757	2.463	6	111.0757	6.068	6	111.0757	6.068	6	110.5811	6.230	54	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:2:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:P-2:	C(SiC[6a]CP)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)(CC3)2(PH)	C(SiC[6a]CP)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)(CC3)2(PH)	111.2602	1.184	6	111.2602	1.401	6	111.2602	1.401	6	111.1939	9.634	12	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:2:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:O-2:	C(SiCNO)(CH3)3	C(CSiCC)(H)3	Si(NC[6a]C)(CC3)2(OC)	C(SiCNO)(CH3)3	C(CSiCC)(H)3	Si(NC[6a]C)(CC3)2(OC)	111.1277	4.448	6	111.1277	19.783	6	111.1277	19.783	6	111.1939	9.634	12	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C(SiC3)(CH3)3	C(CSiCC)(H)3	Si(CC[3x6]Si)(CC3)2(CH3)	C(SiC3)(CH3)3	C(CSiCC)(H)3	Si(CC[3x6]Si)(CC3)2(CH3)	111.8584	3.447	12	111.8584	11.882	12	110.9836	6.830	24	111.0376	4.164	737	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C(SiC3)(CH3)3	C(CSiCC)(H)3	Si(CC[5]O)(CC3)(CH3)2	C(SiC3)(CH3)3	C(CSiCC)(H)3	Si(CC[5]O)(CC3)(CH3)2	110.3363	1.077	6	110.3363	1.160	6	110.9836	6.830	24	111.0376	4.164	737	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C(SiC3)(CH3)3	C(CSiCC)(H)3	Si(CC[6]C)(CC3)(CH3)2	C(SiC3)(CH3)3	C(CSiCC)(H)3	Si(CC[6]C)(CC3)(CH3)2	109.8003	0.397	3	109.8003	0.158	3	110.9836	6.830	24	111.0376	4.164	737	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C(SiC3)(CH3)3	C(CSiCC)(H)3	Si(CTiC)(CC3)(CH3)2	C(SiC3)(CH3)3	C(CSiCC)(H)3	Si(CTiC)(CC3)(CH3)2	109.9620	0.788	3	109.9620	0.620	3	110.9836	6.830	24	111.0376	4.164	737	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:C-4:	C(SiC[5]CC)(CH3)3	C(CSiCC)(H)3	Si(C[5]C[5,5a]C[5,6a])(CC3)(CH3)2	C(SiC[5]CC)(CH3)3	C(CSiCC)(H)3	Si(C[5]C[5,5a]C[5,6a])(CC3)(CH3)2	110.2647	1.362	3	110.2647	1.854	3	110.1929	1.467	44	111.0376	4.164	737	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:C-4:	C(SiC[5]CC)(CH3)3	C(CSiCC)(H)3	Si(C[5]C[5,6a]C[5,5])(CC3)(CH3)2	C(SiC[5]CC)(CH3)3	C(CSiCC)(H)3	Si(C[5]C[5,6a]C[5,5])(CC3)(CH3)2	110.0693	1.046	14	110.0693	1.093	14	110.1929	1.467	44	111.0376	4.164	737	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:C-4:	C(SiC[5]CC)(CH3)3	C(CSiCC)(H)3	Si(C[5]C[5]2)(CC3)(CH3)2	C(SiC[5]CC)(CH3)3	C(CSiCC)(H)3	Si(C[5]C[5]2)(CC3)(CH3)2	110.5180	1.330	3	110.5180	1.769	3	110.1929	1.467	44	111.0376	4.164	737	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:C-4:	C(SiC[5]CC)(CH3)3	C(CSiCC)(H)3	Si(C[5]C[5]P[5])(CC3)(CH3)2	C(SiC[5]CC)(CH3)3	C(CSiCC)(H)3	Si(C[5]C[5]P[5])(CC3)(CH3)2	110.0451	1.336	12	110.0451	1.785	12	110.1929	1.467	44	111.0376	4.164	737	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:C-4:	C(SiC[5]CC)(CH3)3	C(CSiCC)(H)3	Si(C[5]C[5]S[5])(CC3)(CH3)2	C(SiC[5]CC)(CH3)3	C(CSiCC)(H)3	Si(C[5]C[5]S[5])(CC3)(CH3)2	110.3858	1.373	12	110.3858	1.886	12	110.1929	1.467	44	111.0376	4.164	737	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:C-4:	C(SiC[5a]CC)(CH3)3	C(CSiCC)(H)3	Si(C[5a]C[5a,6a]C[5,5a])(CC3)(CH3)2	C(SiC[5a]CC)(CH3)3	C(CSiCC)(H)3	Si(C[5a]C[5a,6a]C[5,5a])(CC3)(CH3)2	109.6350	0.223	3	109.6350	0.050	3	110.0630	0.574	74	111.0376	4.164	737	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:C-4:	C(SiC[5a]CC)(CH3)3	C(CSiCC)(H)3	Si(C[5a]C[5a,6a]O[5a])(CC3)(CH3)2	C(SiC[5a]CC)(CH3)3	C(CSiCC)(H)3	Si(C[5a]C[5a,6a]O[5a])(CC3)(CH3)2	110.1165	0.387	6	110.1165	0.150	6	110.0630	0.574	74	111.0376	4.164	737	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:C-4:	C(SiC[5a]CC)(CH3)3	C(CSiCC)(H)3	Si(C[5a]C[5a,6a]S[5a])(CC3)(CH3)2	C(SiC[5a]CC)(CH3)3	C(CSiCC)(H)3	Si(C[5a]C[5a,6a]S[5a])(CC3)(CH3)2	110.1372	0.845	18	110.1372	0.714	18	110.0630	0.574	74	111.0376	4.164	737	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:C-4:	C(SiC[5a]CC)(CH3)3	C(CSiCC)(H)3	Si(C[5a]C[5a]2)(CC3)(CH3)2	C(SiC[5a]CC)(CH3)3	C(CSiCC)(H)3	Si(C[5a]C[5a]2)(CC3)(CH3)2	110.4070	1.162	3	110.4070	1.351	3	110.0630	0.574	74	111.0376	4.164	737	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:C-4:	C(SiC[5a]CC)(CH3)3	C(CSiCC)(H)3	Si(C[5a]C[5a]O[5a])(CC3)(CH3)2	C(SiC[5a]CC)(CH3)3	C(CSiCC)(H)3	Si(C[5a]C[5a]O[5a])(CC3)(CH3)2	109.8450	0.651	3	109.8450	0.423	3	110.0630	0.574	74	111.0376	4.164	737	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:C-4:	C(SiC[5a]CC)(CH3)3	C(CSiCC)(H)3	Si(C[5a]C[5a]S[5a])(CC3)(CH3)2	C(SiC[5a]CC)(CH3)3	C(CSiCC)(H)3	Si(C[5a]C[5a]S[5a])(CC3)(CH3)2	110.0447	0.777	41	110.0447	0.604	41	110.0630	0.574	74	111.0376	4.164	737	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:As-4:C-4:C-4:	C(SiC[6a]AsC)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)(AsPb3)(CC3)2	C(SiC[6a]AsC)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)(AsPb3)(CC3)2	111.0176	2.022	24	111.0176	4.087	24	111.0176	4.087	24	111.0376	4.164	737	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C(SiC[6a]CC)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[5,6a]C[6a])(CC3)(CH3)2	C(SiC[6a]CC)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[5,6a]C[6a])(CC3)(CH3)2	110.0740	1.309	6	110.0740	1.713	6	110.4481	4.026	21	111.0376	4.164	737	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C(SiC[6a]CC)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)(CC3)(CH3)2	C(SiC[6a]CC)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)(CC3)(CH3)2	110.5742	2.067	9	110.5742	4.271	9	110.4481	4.026	21	111.0376	4.164	737	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C(SiC[6a]CC)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)(CSiCH)(CC3)(CH3)	C(SiC[6a]CC)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)(CSiCH)(CC3)(CH3)	110.6330	2.705	6	110.6330	7.318	6	110.4481	4.026	21	111.0376	4.164	737	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:P-4:C-4:C-4:	C(SiC[6a]CP)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)(PGa2H)(CC3)2	C(SiC[6a]CP)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)(PGa2H)(CC3)2	110.8317	1.940	6	110.8317	3.765	6	110.8317	3.765	6	111.0376	4.164	737	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Ge-3:C-4:C-4:C-4:	C(SiGeCC)(CH3)3	C(CSiCC)(H)3	Si(GeAsSi)(CC3)2(CH3)	C(SiGeCC)(CH3)3	C(CSiCC)(H)3	Si(GeAsSi)(CC3)2(CH3)	110.6812	2.336	12	110.6812	5.457	12	111.1574	6.912	74	111.0376	4.164	737	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Ge-3:C-4:C-4:C-4:	C(SiGeCC)(CH3)3	C(CSiCC)(H)3	Si(GeHfSi)(CC3)2(CH3)	C(SiGeCC)(CH3)3	C(CSiCC)(H)3	Si(GeHfSi)(CC3)2(CH3)	111.5791	3.266	12	111.5791	10.668	12	111.1574	6.912	74	111.0376	4.164	737	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Ge-3:C-4:C-4:C-4:	C(SiGeCC)(CH3)3	C(CSiCC)(H)3	Si(GeSi2)(CC3)2(CH3)	C(SiGeCC)(CH3)3	C(CSiCC)(H)3	Si(GeSi2)(CC3)2(CH3)	111.2826	2.675	38	111.2826	7.156	38	111.1574	6.912	74	111.0376	4.164	737	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Ge-3:C-4:C-4:C-4:	C(SiGeCC)(CH3)3	C(CSiCC)(H)3	Si(GeSiP)(CC3)2(CH3)	C(SiGeCC)(CH3)3	C(CSiCC)(H)3	Si(GeSiP)(CC3)2(CH3)	110.8153	2.248	12	110.8153	5.053	12	111.1574	6.912	74	111.0376	4.164	737	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Ge[3]-3:C-4:C-4:C-4:	C(SiGe[3]CC)(CH3)3	C(CSiCC)(H)3	Si(Ge[3]Ge[3,4]2)(CC3)3	C(SiGe[3]CC)(CH3)3	C(CSiCC)(H)3	Si(Ge[3]Ge[3,4]2)(CC3)3	111.6288	2.572	18	111.6288	6.616	18	111.4248	1.667	88	111.0376	4.164	737	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Ge[3]-3:C-4:C-4:C-4:	C(SiGe[3]CC)(CH3)3	C(CSiCC)(H)3	Si(Ge[3]Ge[3]2)(CC3)3	C(SiGe[3]CC)(CH3)3	C(CSiCC)(H)3	Si(Ge[3]Ge[3]2)(CC3)3	111.3724	0.677	70	111.3724	0.458	70	111.4248	1.667	88	111.0376	4.164	737	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C(SiCCN)(CH3)3	C(CSiCC)(H)3	Si(NC[5]P)(CC3)(CH3)2	C(SiCCN)(CH3)3	C(CSiCC)(H)3	Si(NC[5]P)(CC3)(CH3)2	110.3695	2.645	6	110.3695	6.998	6	111.1498	7.188	18	111.0376	4.164	737	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C(SiCCN)(CH3)3	C(CSiCC)(H)3	Si(NC[5]P[4])(CC3)(CH3)2	C(SiCCN)(CH3)3	C(CSiCC)(H)3	Si(NC[5]P[4])(CC3)(CH3)2	110.2530	1.279	6	110.2530	1.635	6	111.1498	7.188	18	111.0376	4.164	737	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C(SiCCN)(CH3)3	C(CSiCC)(H)3	Si(NC[6a]C)(CC3)(CH3)2	C(SiCCN)(CH3)3	C(CSiCC)(H)3	Si(NC[6a]C)(CC3)(CH3)2	112.8268	3.277	6	112.8268	10.737	6	111.1498	7.188	18	111.0376	4.164	737	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[3]-3:C-4:C-4:C-4:	C(SiN[3]CC)(CH3)3	C(CSiCC)(H)3	Si(N[3]Si[3,3]2)(CC3)2(CH3)	C(SiN[3]CC)(CH3)3	C(CSiCC)(H)3	Si(N[3]Si[3,3]2)(CC3)2(CH3)	110.9583	2.522	6	110.9583	6.361	6	110.9583	6.361	6	111.0376	4.164	737	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[4]-3:C-4:C-4:C-4:	C(SiN[4]CC)(CH3)3	C(CSiCC)(H)3	Si(N[4]C[4]2)(CC3)(CH3)2	C(SiN[4]CC)(CH3)3	C(CSiCC)(H)3	Si(N[4]C[4]2)(CC3)(CH3)2	109.7507	0.875	3	109.7507	0.766	3	109.7507	0.766	3	111.0376	4.164	737	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	C(SiN[5]CC)(CH3)3	C(CSiCC)(H)3	Si(N[5]C[5]2)(CC3)(CH3)2	C(SiN[5]CC)(CH3)3	C(CSiCC)(H)3	Si(N[5]C[5]2)(CC3)(CH3)2	111.4570	0.759	3	111.4570	0.576	3	111.4570	0.576	3	111.0376	4.164	737	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:C-4:C-4:	C(SiN[5a]CC)(CH3)3	C(CSiCC)(H)3	Si(N[5a]C[5a,6a]C[5,5a])(CC3)(CH3)2	C(SiN[5a]CC)(CH3)3	C(CSiCC)(H)3	Si(N[5a]C[5a,6a]C[5,5a])(CC3)(CH3)2	111.1690	3.422	6	111.1690	11.708	6	110.7164	7.995	9	111.0376	4.164	737	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:C-4:C-4:	C(SiN[5a]CC)(CH3)3	C(CSiCC)(H)3	Si(N[5a]C[5a,6a]C[5a])(CC3)(CH3)2	C(SiN[5a]CC)(CH3)3	C(CSiCC)(H)3	Si(N[5a]C[5a,6a]C[5a])(CC3)(CH3)2	109.8113	0.931	3	109.8113	0.867	3	110.7164	7.995	9	111.0376	4.164	737	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:C-4:	C(SiCCP)(CH3)3	C(CSiCC)(H)3	Si(PC[6a]Si)(CC3)(CH3)2	C(SiCCP)(CH3)3	C(CSiCC)(H)3	Si(PC[6a]Si)(CC3)(CH3)2	110.3777	1.076	6	110.3777	1.158	6	111.0672	1.782	15	111.0376	4.164	737	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:C-4:	C(SiCCP)(CH3)3	C(CSiCC)(H)3	Si(PMg2)(CC3)3	C(SiCCP)(CH3)3	C(CSiCC)(H)3	Si(PMg2)(CC3)3	111.5269	1.342	9	111.5269	1.800	9	111.0672	1.782	15	111.0376	4.164	737	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[4]-3:C-4:C-4:C-4:	C(SiP[4]CC)(CH3)3	C(CSiCC)(H)3	Si(P[4]P[4]2)(CC3)3	C(SiP[4]CC)(CH3)3	C(CSiCC)(H)3	Si(P[4]P[4]2)(CC3)3	111.7718	0.983	9	111.7718	0.967	9	111.7718	0.967	9	111.0376	4.164	737	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si-3:C-4:C-4:C-4:	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiAsSi)(CC3)2(CH3)	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiAsSi)(CC3)2(CH3)	110.9190	2.384	12	110.9190	5.682	12	111.3719	4.890	185	111.0376	4.164	737	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si-3:C-4:C-4:C-4:	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiC[5]2)(CC3)3	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiC[5]2)(CC3)3	112.2328	1.854	9	112.2328	3.439	9	111.3719	4.890	185	111.0376	4.164	737	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si-3:C-4:C-4:C-4:	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiC[5]H)(CC3)3	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiC[5]H)(CC3)3	111.8994	1.827	9	111.8994	3.337	9	111.3719	4.890	185	111.0376	4.164	737	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si-3:C-4:C-4:C-4:	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiC[5]Si)(CC3)3	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiC[5]Si)(CC3)3	112.3232	1.841	35	112.3232	3.390	35	111.3719	4.890	185	111.0376	4.164	737	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si-3:C-4:C-4:C-4:	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiC[6a]Si)(CC3)2(CH3)	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiC[6a]Si)(CC3)2(CH3)	110.7780	1.871	12	110.7780	3.499	12	111.3719	4.890	185	111.0376	4.164	737	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si-3:C-4:C-4:C-4:	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiGaSi)(CC3)2(CH3)	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiGaSi)(CC3)2(CH3)	111.0295	2.269	24	111.0295	5.147	24	111.3719	4.890	185	111.0376	4.164	737	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si-3:C-4:C-4:C-4:	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiLiC)(CC3)(CH3)2	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiLiC)(CC3)(CH3)2	110.2760	0.585	3	110.2760	0.342	3	111.3719	4.890	185	111.0376	4.164	737	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si-3:C-4:C-4:C-4:	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiLiC)(CC3)2(CH3)	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiLiC)(CC3)2(CH3)	111.3400	3.317	6	111.3400	11.005	6	111.3719	4.890	185	111.0376	4.164	737	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si-3:C-4:C-4:C-4:	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiSbSi)(CC3)2(CH3)	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiSbSi)(CC3)2(CH3)	110.9561	2.354	12	110.9561	5.542	12	111.3719	4.890	185	111.0376	4.164	737	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si-3:C-4:C-4:C-4:	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiSi2)(CC3)2(CH3)	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiSi2)(CC3)2(CH3)	111.2637	2.473	18	111.2637	6.117	18	111.3719	4.890	185	111.0376	4.164	737	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si-3:C-4:C-4:C-4:	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiSiF)(CC3)2(CH3)	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiSiF)(CC3)2(CH3)	111.0691	2.870	12	111.0691	8.236	12	111.3719	4.890	185	111.0376	4.164	737	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si-3:C-4:C-4:C-4:	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiSiN)(CC3)2(CH3)	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiSiN)(CC3)2(CH3)	110.8191	2.321	12	110.8191	5.385	12	111.3719	4.890	185	111.0376	4.164	737	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si-3:C-4:C-4:C-4:	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiSiN)(CC3)3	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiSiN)(CC3)3	111.6150	1.988	9	111.6150	3.954	9	111.3719	4.890	185	111.0376	4.164	737	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si-3:C-4:C-4:C-4:	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiSiSn)(CC3)2(CH3)	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiSiSn)(CC3)2(CH3)	110.8283	1.996	12	110.8283	3.982	12	111.3719	4.890	185	111.0376	4.164	737	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[3]-3:C-4:C-4:C-4:	C(SiSi[3]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[3]Si[3]2)(CC3)3	C(SiSi[3]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[3]Si[3]2)(CC3)3	111.6811	2.290	9	111.6811	5.246	9	111.8226	3.094	18	111.0376	4.164	737	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[3]-3:C-4:C-4:C-4:	C(SiSi[3]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[3]Si[3]C[3])(CC3)3	C(SiSi[3]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[3]Si[3]C[3])(CC3)3	111.9641	1.133	9	111.9641	1.284	9	111.8226	3.094	18	111.0376	4.164	737	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[3a]-3:C-4:C-4:C-4:	C(SiSi[3a]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[3a]C[3a]2)(CC3)3	C(SiSi[3a]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[3a]C[3a]2)(CC3)3	112.0288	2.148	18	112.0288	4.615	18	112.0288	4.615	18	111.0376	4.164	737	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[4]-3:C-4:C-4:C-4:	C(SiSi[4]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[4]Se[4]Si[4])(CC3)2(CH3)	C(SiSi[4]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[4]Se[4]Si[4])(CC3)2(CH3)	110.7065	2.755	6	110.7065	7.590	6	111.0172	5.493	53	111.0376	4.164	737	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[4]-3:C-4:C-4:C-4:	C(SiSi[4]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[4]Si[4]2)(CC3)2(CH3)	C(SiSi[4]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[4]Si[4]2)(CC3)2(CH3)	111.0938	2.148	35	111.0938	4.612	35	111.0172	5.493	53	111.0376	4.164	737	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[4]-3:C-4:C-4:C-4:	C(SiSi[4]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[4]Si[4]C[4])(CC3)2(CH3)	C(SiSi[4]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[4]Si[4]C[4])(CC3)2(CH3)	110.9492	2.861	12	110.9492	8.183	12	111.0172	5.493	53	111.0376	4.164	737	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[5]-3:C-4:C-4:C-4:	C(SiSi[5]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[5]Si[5]2)(CC3)(CH3)2	C(SiSi[5]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[5]Si[5]2)(CC3)(CH3)2	109.9775	0.383	6	109.9775	0.147	6	110.5399	3.481	18	111.0376	4.164	737	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[5]-3:C-4:C-4:C-4:	C(SiSi[5]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[5]Si[5]2)(CC3)2(CH3)	C(SiSi[5]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[5]Si[5]2)(CC3)2(CH3)	111.0233	1.893	6	111.0233	3.583	6	110.5399	3.481	18	111.0376	4.164	737	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[5]-3:C-4:C-4:C-4:	C(SiSi[5]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[5]Si[5]C[5])(CC3)2(CH3)	C(SiSi[5]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[5]Si[5]C[5])(CC3)2(CH3)	110.6190	2.728	6	110.6190	7.440	6	110.5399	3.481	18	111.0376	4.164	737	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[6]-3:C-4:C-4:C-4:	C(SiSi[6]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[6]C[6]2)(CC3)2(CH3)	C(SiSi[6]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[6]C[6]2)(CC3)2(CH3)	111.1649	2.255	24	111.1649	5.084	24	111.1649	5.084	24	111.0376	4.164	737	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:4:	Si-4:Si-4:Si-4:C-4:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:C-4:	C(SiCCP)3(CH3)	C(CSi3)(H)3	Si(PC[6a]2)(CSi2C)(CH3)2	C(SiCCP)3(CH3)	C(CSi3)(H)3	Si(PC[6a]2)(CSi2C)(CH3)2	108.2983	1.043	3	108.2983	1.088	3	108.2983	1.088	3	111.0376	4.164	737	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:2:2:2:	C-4:Si-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:O-2:O-2:O-2:	C(CCHH)(SiO3)(CH3)2	C(CSiCC)(H)3	Si(CC3)(OSi)3	C(CCHH)(SiO3)(CH3)2	C(CSiCC)(H)3	Si(CC3)(OSi)3	108.7006	1.123	8	108.7006	1.262	8	108.7006	1.262	8	109.4433	0.811	33	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:2:2:2:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:O-2:O-2:O-2:	C(SiO3)(CH3)3	C(CSiCC)(H)3	Si(CC3)(OSi)(OH)2	C(SiO3)(CH3)3	C(CSiCC)(H)3	Si(CC3)(OSi)(OH)2	109.7610	0.441	6	109.7610	0.195	6	109.6810	0.470	25	109.4433	0.811	33	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:2:2:2:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:O-2:O-2:O-2:	C(SiO3)(CH3)3	C(CSiCC)(H)3	Si(CC3)(OSi)2(OH)	C(SiO3)(CH3)3	C(CSiCC)(H)3	Si(CC3)(OSi)2(OH)	109.9463	1.556	3	109.9463	2.421	3	109.6810	0.470	25	109.4433	0.811	33	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:2:2:2:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:O-2:O-2:O-2:	C(SiO3)(CH3)3	C(CSiCC)(H)3	Si(CC3)(OSi)3	C(SiO3)(CH3)3	C(CSiCC)(H)3	Si(CC3)(OSi)3	109.6013	0.584	16	109.6013	0.341	16	109.6810	0.470	25	109.4433	0.811	33	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:3:3:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:C-4:	C(SiC[6a]2C[5])(CH3)3	C(CSiCC)(H)3	Si(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(CC3)	C(SiC[6a]2C[5])(CH3)3	C(CSiCC)(H)3	Si(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(CC3)	110.2897	2.388	3	110.2897	5.702	3	110.2897	5.702	3	110.2897	5.702	3	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:3:4:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[3,5]-4:C[6a]-3:C-4:H-1:	C(SiC[3,5]C[6a]H)(CH3)3	C(CSiCC)(H)3	Si(C[3,5]Si[3,5]N[3,5]C[5])(C[6a]C[6a,6a]2)(CC3)(H)	C(SiC[3,5]C[6a]H)(CH3)3	C(CSiCC)(H)3	Si(C[3,5]Si[3,5]N[3,5]C[5])(C[6a]C[6a,6a]2)(CC3)(H)	111.0658	2.228	6	111.0658	4.962	6	111.0658	4.962	6	111.0658	4.962	6	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si-4:C-4:Br-1:Br-1:	C(SiBr2Si)(CH3)3	C(CSiCC)(H)3	Si(SiBr2C)(CC3)(Br)2	C(SiBr2Si)(CH3)3	C(CSiCC)(H)3	Si(SiBr2C)(CC3)(Br)2	108.8343	1.231	3	108.8343	1.516	3	108.8343	1.516	3	109.3364	0.758	9	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si-4:C-4:Cl-1:Cl-1:	C(SiCl2Si)(CH3)3	C(CSiCC)(H)3	Si(SiCl2C)(CC3)(Cl)2	C(SiCl2Si)(CH3)3	C(CSiCC)(H)3	Si(SiCl2C)(CC3)(Cl)2	109.4880	0.418	3	109.4880	0.174	3	109.4880	0.174	3	109.3364	0.758	9	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si-4:C-4:I-1:I-1:	C(SiSiII)(CH3)3	C(CSiCC)(H)3	Si(SiCII)(CC3)(I)2	C(SiSiII)(CH3)3	C(CSiCC)(H)3	Si(SiCII)(CC3)(I)2	109.6870	0.863	3	109.6870	0.744	3	109.6870	0.744	3	109.3364	0.758	9	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:2:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si-4:C-4:O-2:F-1:	C(SiSiFO)(CH3)3	C(CSiCC)(H)3	Si(SiCFO)(CC3)(OSn)(F)	C(SiSiFO)(CH3)3	C(CSiCC)(H)3	Si(SiCFO)(CC3)(OSn)(F)	110.0792	0.882	6	110.0792	0.778	6	110.0792	0.778	6	110.0792	0.778	6	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:2:2:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:O-2:	C(SiCOO)(CH3)3	C(CSiCC)(H)3	Si(CC3)2(OC)2	C(SiCOO)(CH3)3	C(CSiCC)(H)3	Si(CC3)2(OC)2	110.7170	1.745	48	110.7170	3.044	48	110.7486	4.089	78	110.7486	4.089	78	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:2:2:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:O-2:	C(SiCOO)(CH3)3	C(CSiCC)(H)3	Si(CC3)2(OH)2	C(SiCOO)(CH3)3	C(CSiCC)(H)3	Si(CC3)2(OH)2	110.1857	2.736	12	110.1857	7.487	12	110.7486	4.089	78	110.7486	4.089	78	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:2:2:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:O-2:	C(SiCOO)(CH3)3	C(CSiCC)(H)3	Si(CC3)2(OTe)2	C(SiCOO)(CH3)3	C(CSiCC)(H)3	Si(CC3)2(OTe)2	111.2079	2.194	18	111.2079	4.812	18	110.7486	4.089	78	110.7486	4.089	78	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:Cl-1:	C(SiClSiC)(CH3)3	C(CSiCC)(H)3	Si(SiC[6a]2Si)(CC3)2(Cl)	C(SiClSiC)(CH3)3	C(CSiCC)(H)3	Si(SiC[6a]2Si)(CC3)2(Cl)	110.8903	1.797	6	110.8903	3.229	6	110.8903	3.229	6	110.8903	3.229	6	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:2:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-2:	C(SiC3)(CH3)3	C(CSiCC)(H)3	Si(CC3)(CH3)2(CC)	C(SiC3)(CH3)3	C(CSiCC)(H)3	Si(CC3)(CH3)2(CC)	109.9293	0.479	26	109.9293	0.229	26	109.9293	0.229	26	110.3275	1.915	1077	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:2:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C(SiCCO)(CCCH)(CH3)2	C(CSiCC)(H)3	Si(CC3)(CH3)2(OC)	C(SiCCO)(CCCH)(CH3)2	C(CSiCC)(H)3	Si(CC3)(CH3)2(OC)	107.1160	0.462	4	107.1160	0.214	4	110.3201	1.865	1019	110.3275	1.915	1077	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:2:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C(SiCCO)(CH3)3	C(CSiCC)(H)3	Si(CC3)(CH3)2(OC)	C(SiCCO)(CH3)3	C(CSiCC)(H)3	Si(CC3)(CH3)2(OC)	109.9612	0.968	732	109.9612	0.938	732	110.3201	1.865	1019	110.3275	1.915	1077	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:2:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C(SiCCO)(CH3)3	C(CSiCC)(H)3	Si(CC3)(CH3)2(OH)	C(SiCCO)(CH3)3	C(CSiCC)(H)3	Si(CC3)(CH3)2(OH)	109.9262	0.525	6	109.9262	0.276	6	110.3201	1.865	1019	110.3275	1.915	1077	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:2:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C(SiCCO)(CH3)3	C(CSiCC)(H)3	Si(CC3)(CH3)2(ON)	C(SiCCO)(CH3)3	C(CSiCC)(H)3	Si(CC3)(CH3)2(ON)	110.0758	0.773	12	110.0758	0.597	12	110.3201	1.865	1019	110.3275	1.915	1077	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:2:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C(SiCCO)(CH3)3	C(CSiCC)(H)3	Si(CC3)(CH3)2(OSi)	C(SiCCO)(CH3)3	C(CSiCC)(H)3	Si(CC3)(CH3)2(OSi)	109.6005	0.481	6	109.6005	0.231	6	110.3201	1.865	1019	110.3275	1.915	1077	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:2:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C(SiCCO)(CH3)3	C(CSiCC)(H)3	Si(CC3)2(CH3)(OH)	C(SiCCO)(CH3)3	C(CSiCC)(H)3	Si(CC3)2(CH3)(OH)	110.5214	2.134	24	110.5214	4.552	24	110.3201	1.865	1019	110.3275	1.915	1077	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:2:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C(SiCCO)(CH3)3	C(CSiCC)(H)3	Si(CC3)3(OC)	C(SiCCO)(CH3)3	C(CSiCC)(H)3	Si(CC3)3(OC)	111.6513	0.985	18	111.6513	0.971	18	110.3201	1.865	1019	110.3275	1.915	1077	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:2:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C(SiCCO)(CH3)3	C(CSiCC)(H)3	Si(CC3)3(OCr)	C(SiCCO)(CH3)3	C(CSiCC)(H)3	Si(CC3)3(OCr)	111.6396	1.875	50	111.6396	3.516	50	110.3201	1.865	1019	110.3275	1.915	1077	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:2:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C(SiCCO)(CH3)3	C(CSiCC)(H)3	Si(CC3)3(OMo)	C(SiCCO)(CH3)3	C(CSiCC)(H)3	Si(CC3)3(OMo)	111.5766	1.387	107	111.5766	1.925	107	110.3201	1.865	1019	110.3275	1.915	1077	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:2:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C(SiCCO)(CH3)3	C(CSiCC)(H)3	Si(CC3)3(OSi)	C(SiCCO)(CH3)3	C(CSiCC)(H)3	Si(CC3)3(OSi)	111.3180	1.973	9	111.3180	3.891	9	110.3201	1.865	1019	110.3275	1.915	1077	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:2:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C(SiCCO)(CH3)3	C(CSiCC)(H)3	Si(CC3)3(OV)	C(SiCCO)(CH3)3	C(CSiCC)(H)3	Si(CC3)3(OV)	111.6233	2.023	27	111.6233	4.094	27	110.3201	1.865	1019	110.3275	1.915	1077	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:2:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C(SiCCO)(CH3)3	C(CSiCC)(H)3	Si(CCHH)(CC3)2(OC)	C(SiCCO)(CH3)3	C(CSiCC)(H)3	Si(CCHH)(CC3)2(OC)	110.8096	1.846	24	110.8096	3.407	24	110.3201	1.865	1019	110.3275	1.915	1077	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:2:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:P-2:	C(SiCCP)(CH3)3	C(CSiCC)(H)3	Si(CC3)3(PP)	C(SiCCP)(CH3)3	C(CSiCC)(H)3	Si(CC3)3(PP)	112.4492	2.964	5	112.4492	8.786	5	112.4492	8.786	5	110.3275	1.915	1077	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:2:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:S-2:	C(SiCCS)(CH3)3	C(CSiCC)(H)3	Si(CC3)(CH3)2(SCo)	C(SiCCS)(CH3)3	C(CSiCC)(H)3	Si(CC3)(CH3)2(SCo)	109.8293	0.504	3	109.8293	0.254	3	110.0964	0.892	15	110.3275	1.915	1077	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:2:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:S-2:	C(SiCCS)(CH3)3	C(CSiCC)(H)3	Si(CC3)(CH3)2(SNi)	C(SiCCS)(CH3)3	C(CSiCC)(H)3	Si(CC3)(CH3)2(SNi)	110.2368	0.966	6	110.2368	0.932	6	110.0964	0.892	15	110.3275	1.915	1077	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:2:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:S-2:	C(SiCCS)(CH3)3	C(CSiCC)(H)3	Si(CC3)(CH3)2(STi)	C(SiCCS)(CH3)3	C(CSiCC)(H)3	Si(CC3)(CH3)2(STi)	110.0895	1.182	6	110.0895	1.398	6	110.0964	0.892	15	110.3275	1.915	1077	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:2:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:Si-2:	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(CC3)2(CH3)(SiC)	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(CC3)2(CH3)(SiC)	111.3103	2.853	6	111.3103	8.142	6	111.3103	8.142	6	110.3275	1.915	1077	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:2:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:O-2:	C(SiC[6]CO)(CH3)3	C(CSiCC)(H)3	Si(C[6]C[6]2H)(CC3)2(OH)	C(SiC[6]CO)(CH3)3	C(CSiCC)(H)3	Si(C[6]C[6]2H)(CC3)2(OH)	111.1378	2.488	6	111.1378	6.192	6	111.1378	6.192	6	110.3275	1.915	1077	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:3:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C(SiC3)(CH3)3	C(CSiCC)(H)3	Si(CC3)(CH3)2(CCC)	C(SiC3)(CH3)3	C(CSiCC)(H)3	Si(CC3)(CH3)2(CCC)	110.1923	1.252	15	110.1923	1.569	15	110.4763	1.867	30	110.1393	3.315	42	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:3:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C(SiC3)(CH3)3	C(CSiCC)(H)3	Si(CC3)(CH3)2(CCH)	C(SiC3)(CH3)3	C(CSiCC)(H)3	Si(CC3)(CH3)2(CCH)	111.3220	1.082	3	111.3220	1.171	3	110.4763	1.867	30	110.1393	3.315	42	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:3:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C(SiC3)(CH3)3	C(CSiCC)(H)3	Si(CCCH)(CC3)2(CCH)	C(SiC3)(CH3)3	C(CSiCC)(H)3	Si(CCCH)(CC3)2(CCH)	111.1082	2.148	6	111.1082	4.612	6	110.4763	1.867	30	110.1393	3.315	42	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:3:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C(SiC3)(CH3)3	C(CSiCC)(H)3	Si(CHHO)(CC3)(CH3)(CCN)	C(SiC3)(CH3)3	C(CSiCC)(H)3	Si(CHHO)(CC3)(CH3)(CCN)	110.1318	0.251	6	110.1318	0.063	6	110.4763	1.867	30	110.1393	3.315	42	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:3:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C(SiCCN)(CH3)3	C(CSiCC)(H)3	Si(CC3)(CH3)2(NHN)	C(SiCCN)(CH3)3	C(CSiCC)(H)3	Si(CC3)(CH3)2(NHN)	110.1457	0.331	3	110.1457	0.110	3	110.1457	0.110	3	110.1393	3.315	42	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:3:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Ge[3,6]-4:C-4:C-4:C-3:	C(SiGe[3,6]CC)(CH3)3	C(CSiCC)(H)3	Si(Ge[3,6]Ge[3,6]Ge[3]C[6])(CC3)2(CCC)	C(SiGe[3,6]CC)(CH3)3	C(CSiCC)(H)3	Si(Ge[3,6]Ge[3,6]Ge[3]C[6])(CC3)2(CCC)	108.2898	3.155	6	108.2898	9.954	6	108.2898	9.954	6	110.1393	3.315	42	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:3:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-3:	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiC[6a]C[6]2)(CC3)(CH3)(CHH)	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiC[6a]C[6]2)(CC3)(CH3)(CHH)	110.4617	1.942	3	110.4617	3.770	3	110.4617	3.770	3	110.1393	3.315	42	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(SiC3)(CH3)3	C(CSiCC)(H)3	Si(CCCO)(CC3)(CH3)2	C(SiC3)(CH3)3	C(CSiCC)(H)3	Si(CCCO)(CC3)(CH3)2	110.3753	2.297	6	110.3753	5.275	6	110.3283	2.582	81	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(SiC3)(CH3)3	C(CSiCC)(H)3	Si(CCHH)(CC3)(CH3)2	C(SiC3)(CH3)3	C(CSiCC)(H)3	Si(CCHH)(CC3)(CH3)2	110.4397	0.779	3	110.4397	0.607	3	110.3283	2.582	81	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(SiC3)(CH3)3	C(CSiCC)(H)3	Si(CCHN)(CC3)(CH3)2	C(SiC3)(CH3)3	C(CSiCC)(H)3	Si(CCHN)(CC3)(CH3)2	109.8037	0.908	12	109.8037	0.824	12	110.3283	2.582	81	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(SiC3)(CH3)3	C(CSiCC)(H)3	Si(CC[6]HH)(CC3)(CH3)2	C(SiC3)(CH3)3	C(CSiCC)(H)3	Si(CC[6]HH)(CC3)(CH3)2	110.1233	0.863	3	110.1233	0.745	3	110.3283	2.582	81	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(SiC3)(CH3)3	C(CSiCC)(H)3	Si(CC[6a]HH)(CC3)(CH3)2	C(SiC3)(CH3)3	C(CSiCC)(H)3	Si(CC[6a]HH)(CC3)(CH3)2	109.9930	0.751	3	109.9930	0.564	3	110.3283	2.582	81	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(SiC3)(CH3)3	C(CSiCC)(H)3	Si(CHHO)(CC3)(CH3)2	C(SiC3)(CH3)3	C(CSiCC)(H)3	Si(CHHO)(CC3)(CH3)2	109.4997	0.839	6	109.4997	0.705	6	110.3283	2.582	81	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(SiC3)(CH3)3	C(CSiCC)(H)3	Si(CHHP)3(CC3)	C(SiC3)(CH3)3	C(CSiCC)(H)3	Si(CHHP)3(CC3)	109.8151	0.732	9	109.8151	0.535	9	110.3283	2.582	81	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(SiC3)(CH3)3	C(CSiCC)(H)3	Si(CHfSnC)(CC3)(CH3)2	C(SiC3)(CH3)3	C(CSiCC)(H)3	Si(CHfSnC)(CC3)(CH3)2	110.9680	1.830	3	110.9680	3.348	3	110.3283	2.582	81	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(SiC3)(CH3)3	C(CSiCC)(H)3	Si(CPbRuC)(CC3)(CH3)2	C(SiC3)(CH3)3	C(CSiCC)(H)3	Si(CPbRuC)(CC3)(CH3)2	110.8294	2.253	12	110.8294	5.078	12	110.3283	2.582	81	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(SiC3)(CH3)3	C(CSiCC)(H)3	Si(CRuSnC)(CC3)(CH3)2	C(SiC3)(CH3)3	C(CSiCC)(H)3	Si(CRuSnC)(CC3)(CH3)2	110.6332	1.727	18	110.6332	2.983	18	110.3283	2.582	81	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(SiC3)(CH3)3	C(CSiCC)(H)3	Si(CSi[5]HH)(CC3)2(CH3)	C(SiC3)(CH3)3	C(CSiCC)(H)3	Si(CSi[5]HH)(CC3)2(CH3)	110.9072	2.364	6	110.9072	5.589	6	110.3283	2.582	81	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[3]-4:C-4:C-4:C-4:	C(SiC[3]CC)(CH3)3	C(CSiCC)(H)3	Si(C[3]C[3]2H)(CC3)(CH3)2	C(SiC[3]CC)(CH3)3	C(CSiCC)(H)3	Si(C[3]C[3]2H)(CC3)(CH3)2	110.8240	0.608	6	110.8240	0.369	6	110.4879	1.288	15	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[3]-4:C-4:C-4:C-4:	C(SiC[3]CC)(CH3)3	C(CSiCC)(H)3	Si(C[3]C[3]O[3]H)(CC3)(CH3)2	C(SiC[3]CC)(CH3)3	C(CSiCC)(H)3	Si(C[3]C[3]O[3]H)(CC3)(CH3)2	110.1220	0.731	3	110.1220	0.535	3	110.4879	1.288	15	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[3]-4:C-4:C-4:C-4:	C(SiC[3]CC)(CH3)3	C(CSiCC)(H)3	Si(C[3]C[6a]C[3]N[3])(CC3)(CH3)2	C(SiC[3]CC)(CH3)3	C(CSiCC)(H)3	Si(C[3]C[6a]C[3]N[3])(CC3)(CH3)2	110.3348	1.667	6	110.3348	2.780	6	110.4879	1.288	15	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5,5,6]-4:C-4:C-4:C-4:	C(SiC[5,5,6]CC)(CH3)3	C(CSiCC)(H)3	Si(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])(CC3)(CH3)2	C(SiC[5,5,6]CC)(CH3)3	C(CSiCC)(H)3	Si(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])(CC3)(CH3)2	110.3485	1.437	6	110.3485	2.066	6	110.3485	2.066	6	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C(SiC[5]CC)(CH3)3	C(CSiCC)(H)3	Si(C[5]C[5,5]C[5]Fe)(CC3)(CH3)2	C(SiC[5]CC)(CH3)3	C(CSiCC)(H)3	Si(C[5]C[5,5]C[5]Fe)(CC3)(CH3)2	110.5067	1.300	6	110.5067	1.691	6	110.2652	1.145	33	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C(SiC[5]CC)(CH3)3	C(CSiCC)(H)3	Si(C[5]C[5]2Fe)(CC3)(CH3)2	C(SiC[5]CC)(CH3)3	C(CSiCC)(H)3	Si(C[5]C[5]2Fe)(CC3)(CH3)2	110.0020	0.527	3	110.0020	0.277	3	110.2652	1.145	33	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C(SiC[5]CC)(CH3)3	C(CSiCC)(H)3	Si(C[5]C[5]2Hg)(CC3)(CH3)2	C(SiC[5]CC)(CH3)3	C(CSiCC)(H)3	Si(C[5]C[5]2Hg)(CC3)(CH3)2	110.1470	0.843	3	110.1470	0.711	3	110.2652	1.145	33	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C(SiC[5]CC)(CH3)3	C(CSiCC)(H)3	Si(C[5]C[5]2Rh)(CC3)(CH3)2	C(SiC[5]CC)(CH3)3	C(CSiCC)(H)3	Si(C[5]C[5]2Rh)(CC3)(CH3)2	110.2652	0.570	6	110.2652	0.324	6	110.2652	1.145	33	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C(SiC[5]CC)(CH3)3	C(CSiCC)(H)3	Si(C[5]C[5]P[5]Co)(CC3)(CH3)2	C(SiC[5]CC)(CH3)3	C(CSiCC)(H)3	Si(C[5]C[5]P[5]Co)(CC3)(CH3)2	110.2402	1.686	9	110.2402	2.841	9	110.2652	1.145	33	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C(SiC[5]CC)(CH3)3	C(CSiCC)(H)3	Si(C[5]C[5]P[5]Fe)(CC3)(CH3)2	C(SiC[5]CC)(CH3)3	C(CSiCC)(H)3	Si(C[5]C[5]P[5]Fe)(CC3)(CH3)2	110.2520	0.498	6	110.2520	0.248	6	110.2652	1.145	33	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C[6]-4:C-4:C-4:	C(SiC[5]C[6]C)(CH3)3	C(CSiCC)(H)3	Si(C[5]C[5]2Fe)(C[6]C[6]2H)(CC3)(CH3)	C(SiC[5]C[6]C)(CH3)3	C(CSiCC)(H)3	Si(C[5]C[5]2Fe)(C[6]C[6]2H)(CC3)(CH3)	110.3157	1.518	6	110.3157	2.306	6	110.3157	2.306	6	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Ge-4:C-4:C-4:C-4:	C(SiGeCC)(CH3)3	C(CSiCC)(H)3	Si(GeC[6a]3)(CC3)(CH3)2	C(SiGeCC)(CH3)3	C(CSiCC)(H)3	Si(GeC[6a]3)(CC3)(CH3)2	110.2060	1.589	3	110.2060	2.523	3	110.2060	2.523	3	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Ge[3,3,4]-4:C-4:C-4:C-4:	C(SiGe[3,3,4]CC)(CH3)3	C(CSiCC)(H)3	Si(Ge[3,3,4]Ge[3,3,4]Ge[3,4,4]2)(CC3)2(CH3)	C(SiGe[3,3,4]CC)(CH3)3	C(CSiCC)(H)3	Si(Ge[3,3,4]Ge[3,3,4]Ge[3,4,4]2)(CC3)2(CH3)	110.9049	1.699	12	110.9049	2.886	12	110.9049	2.886	12	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Ge[3,4,4]-4:C-4:C-4:C-4:	C(SiGe[3,4,4]CC)(CH3)3	C(CSiCC)(H)3	Si(Ge[3,4,4]Ge[3,3,4]2Si[4,4])(CC3)2(CH3)	C(SiGe[3,4,4]CC)(CH3)3	C(CSiCC)(H)3	Si(Ge[3,4,4]Ge[3,3,4]2Si[4,4])(CC3)2(CH3)	110.7542	1.774	12	110.7542	3.148	12	110.7542	3.148	12	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Ge[3,4]-4:C-4:C-4:C-4:	C(SiGe[3,4]CC)(CH3)3	C(CSiCC)(H)3	Si(Ge[3,4]Ge[3,4]Ge[3]C[4])(CC3)3	C(SiGe[3,4]CC)(CH3)3	C(CSiCC)(H)3	Si(Ge[3,4]Ge[3,4]Ge[3]C[4])(CC3)3	111.1833	1.048	35	111.1833	1.099	35	111.1833	1.099	35	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Ge[3,6]-4:C-4:C-4:C-4:	C(SiGe[3,6]CC)(CH3)3	C(CSiCC)(H)3	Si(Ge[3,6]Ge[3,6]Ge[3]C[6])(CC3)3	C(SiGe[3,6]CC)(CH3)3	C(CSiCC)(H)3	Si(Ge[3,6]Ge[3,6]Ge[3]C[6])(CC3)3	111.4720	1.353	45	111.4720	1.830	45	111.4720	1.830	45	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Ge[3]-4:C-4:C-4:C-4:	C(SiGe[3]CC)(CH3)3	C(CSiCC)(H)3	Si(Ge[3]Ge[3,6]2Br)(CC3)3	C(SiGe[3]CC)(CH3)3	C(CSiCC)(H)3	Si(Ge[3]Ge[3,6]2Br)(CC3)3	111.7552	0.660	9	111.7552	0.435	9	111.6110	1.170	62	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Ge[3]-4:C-4:C-4:C-4:	C(SiGe[3]CC)(CH3)3	C(CSiCC)(H)3	Si(Ge[3]Ge[3,6]2Cl)(CC3)3	C(SiGe[3]CC)(CH3)3	C(CSiCC)(H)3	Si(Ge[3]Ge[3,6]2Cl)(CC3)3	111.6367	0.669	9	111.6367	0.447	9	111.6110	1.170	62	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Ge[3]-4:C-4:C-4:C-4:	C(SiGe[3]CC)(CH3)3	C(CSiCC)(H)3	Si(Ge[3]Ge[3,6]2I)(CC3)3	C(SiGe[3]CC)(CH3)3	C(CSiCC)(H)3	Si(Ge[3]Ge[3,6]2I)(CC3)3	111.9226	0.644	9	111.9226	0.414	9	111.6110	1.170	62	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Ge[3]-4:C-4:C-4:C-4:	C(SiGe[3]CC)(CH3)3	C(CSiCC)(H)3	Si(Ge[3]Ge[3]2Br)(CC3)3	C(SiGe[3]CC)(CH3)3	C(CSiCC)(H)3	Si(Ge[3]Ge[3]2Br)(CC3)3	111.8406	0.691	8	111.8406	0.477	8	111.6110	1.170	62	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Ge[3]-4:C-4:C-4:C-4:	C(SiGe[3]CC)(CH3)3	C(CSiCC)(H)3	Si(Ge[3]Ge[3]2Cl)(CC3)3	C(SiGe[3]CC)(CH3)3	C(CSiCC)(H)3	Si(Ge[3]Ge[3]2Cl)(CC3)3	111.5583	0.855	9	111.5583	0.732	9	111.6110	1.170	62	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Ge[3]-4:C-4:C-4:C-4:	C(SiGe[3]CC)(CH3)3	C(CSiCC)(H)3	Si(Ge[3]Ge[3]2I)(CC3)3	C(SiGe[3]CC)(CH3)3	C(CSiCC)(H)3	Si(Ge[3]Ge[3]2I)(CC3)3	111.7483	1.115	9	111.7483	1.243	9	111.6110	1.170	62	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Ge[3]-4:C-4:C-4:C-4:	C(SiGe[3]CC)(CH3)3	C(CSiCC)(H)3	Si(Ge[3]Ge[3]2Si)(CC3)3	C(SiGe[3]CC)(CH3)3	C(CSiCC)(H)3	Si(Ge[3]Ge[3]2Si)(CC3)3	110.8410	2.087	9	110.8410	4.355	9	111.6110	1.170	62	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Ge[4]-4:C-4:C-4:C-4:	C(SiGe[4]CC)(CH3)3	C(CSiCC)(H)3	Si(Ge[4]Ge[4]2Fe)(CC3)2(CH3)	C(SiGe[4]CC)(CH3)3	C(CSiCC)(H)3	Si(Ge[4]Ge[4]2Fe)(CC3)2(CH3)	110.6649	1.955	22	110.6649	3.823	22	110.6649	3.823	22	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Ge[5]-4:C-4:C-4:C-4:	C(SiGe[5]CC)(CH3)3	C(CSiCC)(H)3	Si(Ge[5]Si[5]C[5]Fe)(CC3)2(CH3)	C(SiGe[5]CC)(CH3)3	C(CSiCC)(H)3	Si(Ge[5]Si[5]C[5]Fe)(CC3)2(CH3)	110.6022	2.002	6	110.6022	4.007	6	110.6022	4.007	6	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C(SiCCN)(CCCH)(CH3)2	C(CSiCC)(H)3	Si(NZn2C)(CC3)(CH3)2	C(SiCCN)(CCCH)(CH3)2	C(CSiCC)(H)3	Si(NZn2C)(CC3)(CH3)2	107.8850	4.615	2	107.8850	21.294	2	110.1696	10.787	8	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C(SiCCN)(CH3)3	C(CSiCC)(H)3	Si(NC[5]AlSc)(CC3)(CH3)2	C(SiCCN)(CH3)3	C(CSiCC)(H)3	Si(NC[5]AlSc)(CC3)(CH3)2	110.9312	2.839	6	110.9312	8.059	6	110.1696	10.787	8	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	O-4:C-4:C-4:C-4:	C(SiCCO)(CH3)3	C(CSiCC)(H)3	Si(OLi3)(CC3)2(CH3)	C(SiCCO)(CH3)3	C(CSiCC)(H)3	Si(OLi3)(CC3)2(CH3)	111.5068	2.325	12	111.5068	5.405	12	111.5068	5.405	12	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C(SiCCP)(CH3)3	C(CSiCC)(H)3	Si(PMg2H)(CC3)3	C(SiCCP)(CH3)3	C(CSiCC)(H)3	Si(PMg2H)(CC3)3	111.6730	1.058	8	111.6730	1.119	8	111.6730	1.119	8	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiCCN)(CC3)3	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiCCN)(CC3)3	111.7989	1.390	9	111.7989	1.933	9	111.2142	3.329	169	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiCNO)(CC3)3	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiCNO)(CC3)3	111.6684	1.887	9	111.6684	3.560	9	111.2142	3.329	169	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiC[5]BH)(CC3)3	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiC[5]BH)(CC3)3	111.8532	0.955	9	111.8532	0.912	9	111.2142	3.329	169	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiC[5]OO)(CC3)3	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiC[5]OO)(CC3)3	111.7759	1.880	9	111.7759	3.534	9	111.2142	3.329	169	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiClFeSi)(CC3)2(CH3)	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiClFeSi)(CC3)2(CH3)	110.8630	1.698	11	110.8630	2.884	11	111.2142	3.329	169	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiHHN)(CC3)3	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiHHN)(CC3)3	111.4508	1.462	9	111.4508	2.137	9	111.2142	3.329	169	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiLi2Si)(CC3)2(CH3)	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiLi2Si)(CC3)2(CH3)	110.9508	2.359	23	110.9508	5.565	23	111.2142	3.329	169	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiN[6]SiN)(CC3)3	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiN[6]SiN)(CC3)3	111.7439	2.089	9	111.7439	4.362	9	111.2142	3.329	169	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiNiSiH)(CC3)3	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiNiSiH)(CC3)3	111.5757	1.642	17	111.5757	2.697	17	111.2142	3.329	169	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiPdSi2)(CC3)(CH3)2	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiPdSi2)(CC3)(CH3)2	110.4316	1.184	24	110.4316	1.402	24	111.2142	3.329	169	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiSi3)(CC3)3	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiSi3)(CC3)3	111.8505	1.927	8	111.8505	3.712	8	111.2142	3.329	169	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiSiCN)(CC3)2(CH3)	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiSiCN)(CC3)2(CH3)	110.8441	2.317	12	110.8441	5.370	12	111.2142	3.329	169	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiSiHH)(CC3)3	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiSiHH)(CC3)3	111.1026	1.211	8	111.1026	1.466	8	111.2142	3.329	169	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiSiHN)(CC3)2(CH3)	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiSiHN)(CC3)2(CH3)	110.8592	2.428	12	110.8592	5.896	12	111.2142	3.329	169	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[3,3]-4:C-4:C-4:C-4:	C(SiSi[3,3]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[3,3]Si[3,3]Se[3]Si[3])(CC3)2(CH3)	C(SiSi[3,3]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[3,3]Si[3,3]Se[3]Si[3])(CC3)2(CH3)	110.7004	2.217	12	110.7004	4.917	12	110.6402	4.534	52	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[3,3]-4:C-4:C-4:C-4:	C(SiSi[3,3]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[3,3]Si[3,3]Si[3]2)(CC3)(CH3)2	C(SiSi[3,3]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[3,3]Si[3,3]Si[3]2)(CC3)(CH3)2	110.0438	0.596	6	110.0438	0.355	6	110.6402	4.534	52	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[3,3]-4:C-4:C-4:C-4:	C(SiSi[3,3]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[3,3]Si[3,3]Si[3]2)(CC3)2(CH3)	C(SiSi[3,3]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[3,3]Si[3,3]Si[3]2)(CC3)2(CH3)	110.6785	2.732	12	110.6785	7.462	12	110.6402	4.534	52	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[3,3]-4:C-4:C-4:C-4:	C(SiSi[3,3]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[3,3]Si[3,3]Si[3]C[3])(CC3)2(CH3)	C(SiSi[3,3]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[3,3]Si[3,3]Si[3]C[3])(CC3)2(CH3)	110.7490	2.080	22	110.7490	4.326	22	110.6402	4.534	52	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[3]-4:C-4:C-4:C-4:	C(SiSi[3]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[3]C[3]2N)(CC3)2(CH3)	C(SiSi[3]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[3]C[3]2N)(CC3)2(CH3)	110.5710	2.522	6	110.5710	6.362	6	110.8892	5.590	111	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[3]-4:C-4:C-4:C-4:	C(SiSi[3]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[3]C[3]2Si)(CC3)3	C(SiSi[3]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[3]C[3]2Si)(CC3)3	111.5932	1.746	9	111.5932	3.049	9	110.8892	5.590	111	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[3]-4:C-4:C-4:C-4:	C(SiSi[3]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[3]Si[3,3]2Si)(CC3)(CH3)2	C(SiSi[3]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[3]Si[3,3]2Si)(CC3)(CH3)2	110.4503	1.873	12	110.4503	3.508	12	110.8892	5.590	111	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[3]-4:C-4:C-4:C-4:	C(SiSi[3]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[3]Si[3,3]2Si)(CC3)2(CH3)	C(SiSi[3]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[3]Si[3,3]2Si)(CC3)2(CH3)	111.0709	2.491	48	111.0709	6.206	48	110.8892	5.590	111	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[3]-4:C-4:C-4:C-4:	C(SiSi[3]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[3]Si[3,4]Si[3]Si)(CC3)(CH3)2	C(SiSi[3]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[3]Si[3,4]Si[3]Si)(CC3)(CH3)2	110.5966	2.468	12	110.5966	6.092	12	110.8892	5.590	111	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[3]-4:C-4:C-4:C-4:	C(SiSi[3]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[3]Si[3]2Si)(CC3)2(CH3)	C(SiSi[3]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[3]Si[3]2Si)(CC3)2(CH3)	110.9993	2.850	12	110.9993	8.123	12	110.8892	5.590	111	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[3]-4:C-4:C-4:C-4:	C(SiSi[3]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[3]Si[3]2Te)(CC3)2(CH3)	C(SiSi[3]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[3]Si[3]2Te)(CC3)2(CH3)	110.4152	2.320	12	110.4152	5.383	12	110.8892	5.590	111	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[4,4]-4:C-4:C-4:C-4:	C(SiSi[4,4]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[4,4]Si[4,4]C[4]2)(CC3)2(CH3)	C(SiSi[4,4]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[4,4]Si[4,4]C[4]2)(CC3)2(CH3)	110.7955	1.744	24	110.7955	3.043	24	110.7955	3.043	24	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[4,5]-4:C-4:C-4:C-4:	C(SiSi[4,5]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[4,5]P[3,4,5]P[4,4,5]N)(CC3)2(CH3)	C(SiSi[4,5]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[4,5]P[3,4,5]P[4,4,5]N)(CC3)2(CH3)	111.3574	1.985	12	111.3574	3.941	12	111.3574	3.941	12	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[4]-4:C-4:C-4:C-4:	C(SiSi[4]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[4]C[4]2N)(CC3)3	C(SiSi[4]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[4]C[4]2N)(CC3)3	111.7064	1.701	8	111.7064	2.892	8	110.9184	4.216	115	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[4]-4:C-4:C-4:C-4:	C(SiSi[4]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[4]Se[4]Si[4]Si)(CC3)2(CH3)	C(SiSi[4]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[4]Se[4]Si[4]Si)(CC3)2(CH3)	111.0568	1.970	12	111.0568	3.880	12	110.9184	4.216	115	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[4]-4:C-4:C-4:C-4:	C(SiSi[4]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[4]Si[4]2Br)(CC3)(CH3)2	C(SiSi[4]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[4]Si[4]2Br)(CC3)(CH3)2	110.9433	4.265	3	110.9433	18.191	3	110.9184	4.216	115	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[4]-4:C-4:C-4:C-4:	C(SiSi[4]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[4]Si[4]2Ru)(CC3)2(CH3)	C(SiSi[4]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[4]Si[4]2Ru)(CC3)2(CH3)	110.8287	2.006	68	110.8287	4.026	68	110.9184	4.216	115	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[4]-4:C-4:C-4:C-4:	C(SiSi[4]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[4]Si[4]2Si)(CC3)(CH3)2	C(SiSi[4]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[4]Si[4]2Si)(CC3)(CH3)2	110.5423	2.118	6	110.5423	4.486	6	110.9184	4.216	115	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[4]-4:C-4:C-4:C-4:	C(SiSi[4]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[4]Si[4]C[4]C)(CC3)2(CH3)	C(SiSi[4]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[4]Si[4]C[4]C)(CC3)2(CH3)	110.8223	2.327	6	110.8223	5.415	6	110.9184	4.216	115	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[4]-4:C-4:C-4:C-4:	C(SiSi[4]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[4]Si[4]C[4]Si)(CC3)2(CH3)	C(SiSi[4]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[4]Si[4]C[4]Si)(CC3)2(CH3)	110.9931	2.244	12	110.9931	5.034	12	110.9184	4.216	115	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[5]-4:C-4:C-4:C-4:	C(SiSi[5]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[5]Ge[5]Si[5]Fe)(CC3)2(CH3)	C(SiSi[5]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[5]Ge[5]Si[5]Fe)(CC3)2(CH3)	110.5580	1.830	6	110.5580	3.350	6	110.7720	4.162	36	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[5]-4:C-4:C-4:C-4:	C(SiSi[5]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[5]Si[5]2Rh)(CC3)2(CH3)	C(SiSi[5]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[5]Si[5]2Rh)(CC3)2(CH3)	110.5710	2.377	6	110.5710	5.649	6	110.7720	4.162	36	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[5]-4:C-4:C-4:C-4:	C(SiSi[5]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[5]Si[5]C[5]C)(CC3)2(CH3)	C(SiSi[5]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[5]Si[5]C[5]C)(CC3)2(CH3)	111.2820	2.072	6	111.2820	4.295	6	110.7720	4.162	36	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[5]-4:C-4:C-4:C-4:	C(SiSi[5]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[5]Si[5]C[5]Fe)(CC3)2(CH3)	C(SiSi[5]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[5]Si[5]C[5]Fe)(CC3)2(CH3)	110.7230	1.720	6	110.7230	2.960	6	110.7720	4.162	36	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[5]-4:C-4:C-4:C-4:	C(SiSi[5]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[5]Si[5]C[5]Rh)(CC3)2(CH3)	C(SiSi[5]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[5]Si[5]C[5]Rh)(CC3)2(CH3)	110.7490	2.380	12	110.7490	5.663	12	110.7720	4.162	36	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[6]-4:C-4:C-4:C-4:	C(SiSi[6]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[6]C[6]2H)(CC3)3	C(SiSi[6]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[6]C[6]2H)(CC3)3	111.9107	1.247	9	111.9107	1.555	9	111.9107	1.555	9	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:Si-4:Si-4:C-4:	C-4:H-1:H-1:H-1:	C-4:P-4:C-4:C-4:	C(SiCCP)3(CH3)	C(CSi3)(H)3	Si(CSi2C)(PMoCC)(CH3)2	C(SiCCP)3(CH3)	C(CSi3)(H)3	Si(CSi2C)(PMoCC)(CH3)2	105.7877	0.542	3	105.7877	0.294	3	105.7877	0.294	3	110.9324	3.535	897	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	5:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-5:C-4:C-4:C-4:	C(SiC3)(CH3)3	C(CSiCC)(H)3	Si(CRu2SnC)(CC3)(CH3)2	C(SiC3)(CH3)3	C(CSiCC)(H)3	Si(CRu2SnC)(CC3)(CH3)2	111.8248	4.082	6	111.8248	16.661	6	111.8248	16.661	6	111.1565	4.773	65	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	5:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[3x3,4,3x5,14x6]-5:C-4:C-4:C-4:	C(SiC[3x3,4,3x5,14x6]CC)(CH3)3	C(CSiCC)(H)3	Si(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CC3)(CH3)2	C(SiC[3x3,4,3x5,14x6]CC)(CH3)3	C(CSiCC)(H)3	Si(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CC3)(CH3)2	110.7817	4.299	3	110.7817	18.481	3	110.7817	18.481	3	111.1565	4.773	65	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	5:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Ge-5:C-4:C-4:C-4:	C(SiGeCC)(CH3)3	C(CSiCC)(H)3	Si(GeLi2SiH)(CC3)(CH3)2	C(SiGeCC)(CH3)3	C(CSiCC)(H)3	Si(GeLi2SiH)(CC3)(CH3)2	110.3197	0.397	6	110.3197	0.157	6	110.3197	0.157	6	111.1565	4.773	65	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	5:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P-5:C-4:C-4:C-4:	C(SiCCP)(CH3)3	C(CSiCC)(H)3	Si(PLi3P)(CC3)3	C(SiCCP)(CH3)3	C(CSiCC)(H)3	Si(PLi3P)(CC3)3	111.7581	1.164	9	111.7581	1.355	9	111.8769	1.586	17	111.1565	4.773	65	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	5:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P-5:C-4:C-4:C-4:	C(SiCCP)(CH3)3	C(CSiCC)(H)3	Si(PMg4)(CC3)3	C(SiCCP)(CH3)3	C(CSiCC)(H)3	Si(PMg4)(CC3)3	112.0105	1.428	8	112.0105	2.039	8	111.8769	1.586	17	111.1565	4.773	65	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	5:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si-5:C-4:C-4:C-4:	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiLi2SiC)(CC3)(CH3)2	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	Si(SiLi2SiC)(CC3)(CH3)2	111.0680	1.825	9	111.0680	3.330	9	111.0680	3.330	9	111.1565	4.773	65	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	5:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[3,3]-5:C-4:C-4:C-4:	C(SiSi[3,3]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[3,3]B[3,3]O[3]2Si)(CC3)2(CH3)	C(SiSi[3,3]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[3,3]B[3,3]O[3]2Si)(CC3)2(CH3)	110.5473	2.348	12	110.5473	5.514	12	110.5473	5.514	12	111.1565	4.773	65	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	5:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[6]-5:C-4:C-4:C-4:	C(SiSi[6]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[6]C[6]2Li2)(CC3)2(CH3)	C(SiSi[6]CC)(CH3)3	C(CSiCC)(H)3	Si(Si[6]C[6]2Li2)(CC3)2(CH3)	110.9893	2.148	12	110.9893	4.615	12	110.9893	4.615	12	111.1565	4.773	65	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:1:1:1:	6:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5x3,5x5,20x6]-6:C-4:C-4:C-4:	C(SiC[5x3,5x5,20x6]CC)(CH3)3	C(CSiCC)(H)3	Si(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC3)(CH3)2	C(SiC[5x3,5x5,20x6]CC)(CH3)3	C(CSiCC)(H)3	Si(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC3)(CH3)2	110.4733	4.806	3	110.4733	23.095	3	110.4733	23.095	3	110.4733	23.095	3	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:4:1:1:	4:2:2:2:	C-4:Si-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:O-2:O-2:O-2:	C(CCHH)(SiO3)(CH3)2	C(CSiCC)(CCHH)(H)2	Si(CC3)(OSi)3	C(CCHH)(SiO3)(CH3)2	C(CSiCC)(CCHH)(H)2	Si(CC3)(OSi)3	111.6255	2.049	4	111.6255	4.200	4	111.6255	4.200	4	111.6255	4.200	4	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:4:4:1:	4:4:4:2:	Si-4:C-4:C-4:C-4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:O-2:	C(SiCCO)(CCCH)(CH3)2	C(CSiCC)(CH3)2(H)	Si(CC3)(CH3)2(OC)	C(SiCCO)(CCCH)(CH3)2	C(CSiCC)(CH3)2(H)	Si(CC3)(CH3)2(OC)	113.7115	0.231	2	113.7115	0.053	2	113.7115	0.053	2	113.7115	0.053	2	112.1050	6.707	8791	112.1050	6.707	8791
490	490	880	0:SP3_SP3_SP3	C	C	Si	4:4:4:4:	4:4:4:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	C-4:C-4:C-4:H-1:	N-4:C-4:C-4:C-4:	C(SiCCN)(CCCH)(CH3)2	C(CSiCC)(CH3)2(H)	Si(NZn2C)(CC3)(CH3)2	C(SiCCN)(CCCH)(CH3)2	C(CSiCC)(CH3)2(H)	Si(NZn2C)(CC3)(CH3)2	114.4270	0.000	1	114.4270	0.000	1	114.4270	0.000	1	114.4270	0.000	1	112.1050	6.707	8791	112.1050	6.707	8791
490	490	881	0:SP3_SP3_SPD5	C	C	Si[3,4]	5:4:4:4:	4:1:1:1:	3:3:3:3:4:	Si[3,4]-5:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[3]-3:C[3]-3:N[4]-3:N[4]-3:C-4:	C(Si[3,4]C[3]2N[4]2)(CH3)3	C(CSi[3,4]CC)(H)3	Si[3,4](C[3]C[6a]C[3])2(N[4]C[4]C)2(CC3)	C(Si[3,4]C[3]2N[4]2)(CH3)3	C(CSi[3,4]CC)(H)3	Si[3,4](C[3]C[6a]C[3])2(N[4]C[4]C)2(CC3){5|C<3>}	110.6703	1.809	3	110.6703	3.272	3	110.6703	3.272	3	110.6508	4.083	6	110.4513	3.523	9	110.4513	3.523	9
490	490	881	0:SP3_SP3_SPD5	C	C	Si[3,4]	5:4:4:4:	4:1:1:1:	3:3:3:3:4:	Si[3,4]-5:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[3]-3:N[3]-3:N[4]-3:N[4]-3:C-4:	C(Si[3,4]N[3]2N[4]2)(CH3)3	C(CSi[3,4]CC)(H)3	Si[3,4](N[3]C[6a]N[3])2(N[4]C[4]C)2(CC3)	C(Si[3,4]N[3]2N[4]2)(CH3)3	C(CSi[3,4]CC)(H)3	Si[3,4](N[3]C[6a]N[3])2(N[4]C[4]C)2(CC3){5|C<3>}	110.6313	2.633	3	110.6313	6.934	3	110.6313	6.934	3	110.6508	4.083	6	110.4513	3.523	9	110.4513	3.523	9
490	490	881	0:SP3_SP3_SPD5	C	C	Si[3,4]	5:4:4:4:	4:1:1:1:	4:3:3:3:4:	Si[3,4]-5:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[3]-4:N[3]-3:N[4]-3:N[4]-3:C-4:	C(Si[3,4]C[3]N[3]N[4]2)(CH3)3	C(CSi[3,4]CC)(H)3	Si[3,4](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(N[4]C[4]C)2(CC3)	C(Si[3,4]C[3]N[3]N[4]2)(CH3)3	C(CSi[3,4]CC)(H)3	Si[3,4](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(N[4]C[4]C)2(CC3){5|C<3>}	110.0523	1.878	3	110.0523	3.525	3	110.0523	3.525	3	110.0523	3.525	3	110.4513	3.523	9	110.4513	3.523	9
490	490	882	0:SP3_SP3_SP3	C	C	P[4]	3:4:1:1:	3:4:1:1:	3:3:4:	P[4]-3:C-4:H-1:H-1:	P[4]-3:C-4:H-1:H-1:	N[4]-3:N[4]-3:C-4:	C(P[4]N[4]2)(CP[4]HH)(H)2	C(P[4]N[4]2)(CP[4]HH)(H)2	P[4](N[4]Si[4]C)2(CCHH)	C(P[4]N[4]2)(CP[4]HH)(H)2	C(P[4]N[4]2)(CP[4]HH)(H)2	P[4](N[4]Si[4]C)2(CCHH){2|C<4>}	120.7840	0.000	1	120.7840	0.000	1	120.7840	0.000	1	120.7840	0.000	1	109.2457	26.675	76	109.2457	26.675	76
490	490	882	0:SP3_SP3_SP3	C	C	P[4]	3:4:4:4:	4:1:1:1:	3:3:4:	P[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	As[4]-3:P[4]-3:C-4:	C(P[4]As[4]P[4])(CH3)3	C(CP[4]CC)(H)3	P[4](As[4]P[4]Li)(P[4]P[4]C)(CC3)	C(P[4]As[4]P[4])(CH3)3	C(CP[4]CC)(H)3	P[4](As[4]P[4]Li)(P[4]P[4]C)(CC3){1|C<4>}	108.0560	4.036	5	108.0560	16.293	5	108.0560	16.293	5	109.1434	16.947	42	109.2457	26.675	76	109.2457	26.675	76
490	490	882	0:SP3_SP3_SP3	C	C	P[4]	3:4:4:4:	4:1:1:1:	3:3:4:	P[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[4]-3:P[4]-3:C-4:	C(P[4]C[4]P[4])(CH3)3	C(CP[4]CC)(H)3	P[4](C[4]P[4]N)(P[4]P[4]C)(CC3)	C(P[4]C[4]P[4])(CH3)3	C(CP[4]CC)(H)3	P[4](C[4]P[4]N)(P[4]P[4]C)(CC3){2|C<4>}	109.2520	5.204	3	109.2520	27.079	3	109.2520	27.079	3	109.1434	16.947	42	109.2457	26.675	76	109.2457	26.675	76
490	490	882	0:SP3_SP3_SP3	C	C	P[4]	3:4:4:4:	4:1:1:1:	3:3:4:	P[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Ga[4]-3:P[4]-3:C-4:	C(P[4]Ga[4]P[4])(CH3)3	C(CP[4]CC)(H)3	P[4](Ga[4]P[4]C)(P[4]P[4]C)(CC3)	C(P[4]Ga[4]P[4])(CH3)3	C(CP[4]CC)(H)3	P[4](Ga[4]P[4]C)(P[4]P[4]C)(CC3){1|C<4>}	109.3607	4.020	12	109.3607	16.161	12	109.3607	16.161	12	109.1434	16.947	42	109.2457	26.675	76	109.2457	26.675	76
490	490	882	0:SP3_SP3_SP3	C	C	P[4]	3:4:4:4:	4:1:1:1:	3:3:4:	P[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[4]-3:P[4]-3:C-4:	C(P[4]P[4]2)(CH3)3	C(CP[4]CC)(H)3	P[4](P[4]As[4]C)2(CC3)	C(P[4]P[4]2)(CH3)3	C(CP[4]CC)(H)3	P[4](P[4]As[4]C)2(CC3){1|Li<4>}	109.5407	4.413	3	109.5407	19.470	3	109.2571	18.615	22	109.1434	16.947	42	109.2457	26.675	76	109.2457	26.675	76
490	490	882	0:SP3_SP3_SP3	C	C	P[4]	3:4:4:4:	4:1:1:1:	3:3:4:	P[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[4]-3:P[4]-3:C-4:	C(P[4]P[4]2)(CH3)3	C(CP[4]CC)(H)3	P[4](P[4]Ga[4]C)2(CC3)	C(P[4]P[4]2)(CH3)3	C(CP[4]CC)(H)3	P[4](P[4]Ga[4]C)2(CC3){1|C<4>}	109.2107	4.177	6	109.2107	17.446	6	109.2571	18.615	22	109.1434	16.947	42	109.2457	26.675	76	109.2457	26.675	76
490	490	882	0:SP3_SP3_SP3	C	C	P[4]	3:4:4:4:	4:1:1:1:	3:3:4:	P[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[4]-3:P[4]-3:C-4:	C(P[4]P[4]2)(CH3)3	C(CP[4]CC)(H)3	P[4](P[4]P[4]C)2(CC3)	C(P[4]P[4]2)(CH3)3	C(CP[4]CC)(H)3	P[4](P[4]P[4]C)2(CC3){1|C<4>,1|H<1>}	108.9863	5.629	3	109.2131	22.038	13	109.2571	18.615	22	109.1434	16.947	42	109.2457	26.675	76	109.2457	26.675	76
490	490	882	0:SP3_SP3_SP3	C	C	P[4]	3:4:4:4:	4:1:1:1:	3:3:4:	P[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[4]-3:P[4]-3:C-4:	C(P[4]P[4]2)(CH3)3	C(CP[4]CC)(H)3	P[4](P[4]P[4]C)2(CC3)	C(P[4]P[4]2)(CH3)3	C(CP[4]CC)(H)3	P[4](P[4]P[4]C)2(CC3){1|C<4>}	109.6113	4.533	7	109.2131	22.038	13	109.2571	18.615	22	109.1434	16.947	42	109.2457	26.675	76	109.2457	26.675	76
490	490	882	0:SP3_SP3_SP3	C	C	P[4]	3:4:4:4:	4:1:1:1:	3:3:4:	P[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[4]-3:P[4]-3:C-4:	C(P[4]P[4]2)(CH3)3	C(CP[4]CC)(H)3	P[4](P[4]P[4]C)2(CC3)	C(P[4]P[4]2)(CH3)3	C(CP[4]CC)(H)3	P[4](P[4]P[4]C)2(CC3){2|C<4>}	108.5107	6.127	3	109.2131	22.038	13	109.2571	18.615	22	109.1434	16.947	42	109.2457	26.675	76	109.2457	26.675	76
490	490	882	0:SP3_SP3_SP3	C	C	P[4]	3:4:4:4:	4:1:1:1:	4:3:4:	P[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[4]-4:P[4]-3:C-4:	C(P[4]P[4]2)(CH3)3	C(CP[4]CC)(H)3	P[4](P[4]C[4]CC)(P[4]C[4]C)(CC3)	C(P[4]P[4]2)(CH3)3	C(CP[4]CC)(H)3	P[4](P[4]C[4]CC)(P[4]C[4]C)(CC3){1|N<2>}	108.7443	7.349	3	108.7443	54.009	3	108.9514	32.276	21	108.9514	32.276	21	109.2457	26.675	76	109.2457	26.675	76
490	490	882	0:SP3_SP3_SP3	C	C	P[4]	3:4:4:4:	4:1:1:1:	4:3:4:	P[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[4]-4:P[4]-3:C-4:	C(P[4]P[4]2)(CH3)3	C(CP[4]CC)(H)3	P[4](P[4]P[4]CC)(P[4]P[4]C)(CC3)	C(P[4]P[4]2)(CH3)3	C(CP[4]CC)(H)3	P[4](P[4]P[4]CC)(P[4]P[4]C)(CC3){1|C<4>}	109.3098	6.610	6	109.0034	33.850	12	108.9514	32.276	21	108.9514	32.276	21	109.2457	26.675	76	109.2457	26.675	76
490	490	882	0:SP3_SP3_SP3	C	C	P[4]	3:4:4:4:	4:1:1:1:	4:3:4:	P[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[4]-4:P[4]-3:C-4:	C(P[4]P[4]2)(CH3)3	C(CP[4]CC)(H)3	P[4](P[4]P[4]CC)(P[4]P[4]C)(CC3)	C(P[4]P[4]2)(CH3)3	C(CP[4]CC)(H)3	P[4](P[4]P[4]CC)(P[4]P[4]C)(CC3){2|C<4>}	108.6970	5.528	6	109.0034	33.850	12	108.9514	32.276	21	108.9514	32.276	21	109.2457	26.675	76	109.2457	26.675	76
490	490	882	0:SP3_SP3_SP3	C	C	P[4]	3:4:4:4:	4:1:1:1:	4:3:4:	P[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[4]-4:P[4]-3:C-4:	C(P[4]P[4]2)(CH3)3	C(CP[4]CC)(H)3	P[4](P[4]P[4]CH)(P[4]P[4]C)(CC3)	C(P[4]P[4]2)(CH3)3	C(CP[4]CC)(H)3	P[4](P[4]P[4]CH)(P[4]P[4]C)(CC3){1|C<4>}	108.9510	5.745	6	108.9510	33.000	6	108.9514	32.276	21	108.9514	32.276	21	109.2457	26.675	76	109.2457	26.675	76
490	490	882	0:SP3_SP3_SP3	C	C	P[4]	3:4:4:4:	4:1:1:1:	4:4:4:	P[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[4]-4:C[4]-4:C-4:	C(P[4]C[4]2)(CH3)3	C(CP[4]CC)(H)3	P[4](C[4]P[4]CH)2(CC3)	C(P[4]C[4]2)(CH3)3	C(CP[4]CC)(H)3	P[4](C[4]P[4]CH)2(CC3){2|C<4>}	109.7350	7.171	6	109.7350	51.427	6	109.1573	47.708	12	109.1573	47.708	12	109.2457	26.675	76	109.2457	26.675	76
490	490	882	0:SP3_SP3_SP3	C	C	P[4]	3:4:4:4:	4:1:1:1:	4:4:4:	P[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[4]-4:C[4]-4:C-4:	C(P[4]C[4]2)(CH3)3	C(CP[4]CC)(H)3	P[4](C[4]P[4]FF)2(CC3)	C(P[4]C[4]2)(CH3)3	C(CP[4]CC)(H)3	P[4](C[4]P[4]FF)2(CC3){1|C<4>,1|W<6>}	108.5797	7.261	6	108.5797	52.729	6	109.1573	47.708	12	109.1573	47.708	12	109.2457	26.675	76	109.2457	26.675	76
490	490	885	0:SP3_SP-NON_SP3	C	C	Ga[5,5]	4:4:4:4:	4:1:1:1:	4:2:2:4:	Ga[5,5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[5,5]-4:S[5]-2:S[5]-2:C-4:	C(Ga[5,5]P[5,5]S[5]2)(CH3)3	C(CGa[5,5]CC)(H)3	Ga[5,5](P[5,5]C[5,6a]2C[6a])(S[5]C[5,6a])2(CC3)	C(Ga[5,5]P[5,5]S[5]2)(CH3)3	C(CGa[5,5]CC)(H)3	Ga[5,5](P[5,5]C[5,6a]2C[6a])(S[5]C[5,6a])2(CC3){6|C<3>}	109.0228	1.375	6	109.0228	1.891	6	109.0228	1.891	6	109.0228	1.891	6	109.0228	1.891	6	110.4947	10.192	30
490	490	885	0:SP3_SP-NON_SP3	C	C	Ga[5]	4:4:4:4:	4:1:1:1:	3:2:4:4:	Ga[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	O[5,6]-3:O[5]-2:C-4:C-4:	C(Ga[5]O[5,6]O[5]C)(CH3)3	C(CGa[5]CC)(H)3	Ga[5](O[5,6]In[5,5,6,6]N[6])(O[5]N[5,6])(CC3)2	C(Ga[5]O[5,6]O[5]C)(CH3)3	C(CGa[5]CC)(H)3	Ga[5](O[5,6]In[5,5,6,6]N[6])(O[5]N[5,6])(CC3)2{1|N<4>,1|O<3>,5|C<4>}	110.6417	3.266	12	110.6417	10.667	12	110.6417	10.667	12	110.7884	13.724	18	110.8627	11.733	24	110.4947	10.192	30
490	490	885	0:SP3_SP-NON_SP3	C	C	Ga[5]	4:4:4:4:	4:1:1:1:	3:2:4:4:	Ga[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	O[5]-3:O[5]-2:C-4:C-4:	C(Ga[5]O[5]2C)(CH3)3	C(CGa[5]CC)(H)3	Ga[5](O[5]Ga[5]N)(O[5]N[5])(CC3)2	C(Ga[5]O[5]2C)(CH3)3	C(CGa[5]CC)(H)3	Ga[5](O[5]Ga[5]N)(O[5]N[5])(CC3)2{4|C<4>}	111.0820	4.800	6	111.0820	23.041	6	111.0820	23.041	6	110.7884	13.724	18	110.8627	11.733	24	110.4947	10.192	30
490	490	885	0:SP3_SP-NON_SP3	C	C	Ga[5]	4:4:4:4:	4:1:1:1:	4:3:4:4:	Ga[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[5]-4:O[5]-3:C-4:C-4:	C(Ga[5]N[5]O[5]C)(CH3)3	C(CGa[5]CC)(H)3	Ga[5](N[5]O[5]CC)(O[5]Ga[5]N)(CC3)2	C(Ga[5]N[5]O[5]C)(CH3)3	C(CGa[5]CC)(H)3	Ga[5](N[5]O[5]CC)(O[5]Ga[5]N)(CC3)2{2|C<4>}	111.0855	2.689	6	111.0855	7.231	6	111.0855	7.231	6	111.0855	7.231	6	110.8627	11.733	24	110.4947	10.192	30
490	490	887	0:SP3_SP3_SP3	C	C	S	3:3:4:1:	4:1:1:1:	3:4:1:	C[6a]-3:S-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:O-1:	C(C[6a]C[6a]2)(SC[6a]O)(CH3)(H)	C(CC[6a]HS)(H)3	S(C[6a]C[6a]2)(CC[6a]CH)(O)	C(C[6a]C[6a]2)(SC[6a]O)(CH3)(H)	C(CC[6a]HS)(H)3	S(C[6a]C[6a]2)(CC[6a]CH)(O)	108.8876	2.026	7	108.8876	4.104	7	108.8876	4.104	7	108.8876	4.104	7	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	3:3:4:1:	4:2:1:1:	3:4:1:	C[6a]-3:S-3:C-4:H-1:	C-4:C-2:H-1:H-1:	C[6a]-3:C-4:O-1:	C(C[6a]C[6a]2)(SC[6a]O)(CCHH)(H)	C(CC[6a]HS)(CC)(H)2	S(C[6a]C[6a]2)(CC[6a]CH)(O)	C(C[6a]C[6a]2)(SC[6a]O)(CCHH)(H)	C(CC[6a]HS)(CC)(H)2	S(C[6a]C[6a]2)(CC[6a]CH)(O)	106.0590	0.000	1	106.0590	0.000	1	106.0590	0.000	1	106.0590	0.000	1	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	3:3:4:1:	4:3:2:1:	3:4:1:	C[6a]-3:S-3:C-4:H-1:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:O-1:	C(C[6a]C[6a]2)(SC[6a]O)(CCHO)(H)	C(CC[6a]HS)(CNO)(OH)(H)	S(C[6a]C[6a]2)(CC[6a]CH)(O)	C(C[6a]C[6a]2)(SC[6a]O)(CCHO)(H)	C(CC[6a]HS)(CNO)(OH)(H)	S(C[6a]C[6a]2)(CC[6a]CH)(O)	113.3240	0.000	1	113.3240	0.000	1	113.3240	0.000	1	113.3240	0.000	1	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	3:4:1:1:	3:4:1:1:	3:4:2:	S-3:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C[6a]-3:C-4:N-2:	C(SC[6a]N)(CHHS)(H)2	C(SC[6a]N)(CHHS)(H)2	S(C[6a]C[6a]2)(CCHH)(NS)	C(SC[6a]N)(CHHS)(H)2	C(SC[6a]N)(CHHS)(H)2	S(C[6a]C[6a]2)(CCHH)(NS)	111.2785	0.957	2	111.2785	0.915	2	111.2785	0.915	2	111.2785	0.915	2	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	3:4:1:1:	3:4:1:1:	4:4:1:	S-3:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C[5]-4:C-4:O-1:	C(SC[5]O)(CHHS)(H)2	C(SC[5]O)(CHHS)(H)2	S(C[5]C[5]2Fe)(CCHH)(O)	C(SC[5]O)(CHHS)(H)2	C(SC[5]O)(CHHS)(H)2	S(C[5]C[5]2Fe)(CCHH)(O)	109.8210	4.354	2	109.8210	18.960	2	109.8210	18.960	2	109.8210	18.960	2	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	3:4:1:1:	4:1:1:1:	3:3:4:	S-3:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(SC[6a]2)(CBrHH)(H)2	C(CHHS)(Br)(H)2	S(C[6a]C[6a]2)2(CCHH)	C(SC[6a]2)(CBrHH)(H)2	C(CHHS)(Br)(H)2	S(C[6a]C[6a]2)2(CCHH)	110.9110	0.000	1	110.9110	0.000	1	110.9110	0.000	1	110.9110	0.000	1	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	3:4:1:1:	4:1:1:1:	3:4:1:	S-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:O-1:	C(SC[5a]O)(CH3)(H)2	C(CHHS)(H)3	S(C[5a]C[5a,6a]C[5a])(CCHH)(O)	C(SC[5a]O)(CH3)(H)2	C(CHHS)(H)3	S(C[5a]C[5a,6a]C[5a])(CCHH)(O)	111.0602	1.112	22	111.0602	1.237	22	111.0279	1.205	23	110.9740	1.222	24	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	3:4:1:1:	4:1:1:1:	3:4:1:	S-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:O-1:	C(SC[5a]O)(CH3)(H)2	C(CHHS)(H)3	S(C[5a]C[5a]N[5a])(CCHH)(O)	C(SC[5a]O)(CH3)(H)2	C(CHHS)(H)3	S(C[5a]C[5a]N[5a])(CCHH)(O)	110.3180	0.000	1	110.3180	0.000	1	111.0279	1.205	23	110.9740	1.222	24	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	3:4:1:1:	4:1:1:1:	3:4:1:	S-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:O-1:	C(SC[6a]O)(CH3)(H)2	C(CHHS)(H)3	S(C[6a]C[6a]2)(CCHH)(O)	C(SC[6a]O)(CH3)(H)2	C(CHHS)(H)3	S(C[6a]C[6a]2)(CCHH)(O)	109.7330	0.000	1	109.7330	0.000	1	109.7330	0.000	1	110.9740	1.222	24	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	3:4:1:1:	4:1:1:1:	4:4:1:	S-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:O-1:	C(SC[6]O)(CH3)(H)2	C(CHHS)(H)3	S(C[6]C[6]O[6]H)(CCHH)(O)	C(SC[6]O)(CH3)(H)2	C(CHHS)(H)3	S(C[6]C[6]O[6]H)(CCHH)(O)	110.1790	1.912	2	110.1790	3.656	2	110.1790	3.656	2	110.1790	3.656	2	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	3:4:1:1:	4:1:1:1:	4:4:4:	S-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:Ga-4:C-4:	C(SGaC)(CH3)(H)2	C(CHHS)(H)3	S(CC[6a]HH)(GaCl3)(CCHH)	C(SGaC)(CH3)(H)2	C(CHHS)(H)3	S(CC[6a]HH)(GaCl3)(CCHH)	112.1340	0.000	1	112.1340	0.000	1	112.1340	0.000	1	114.7515	13.703	2	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	3:4:1:1:	4:1:1:1:	4:4:4:	S-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:In-4:C-4:	C(SInC)(CH3)(H)2	C(CHHS)(H)3	S(CC[6a]HH)(InCl2S)(CCHH)	C(SInC)(CH3)(H)2	C(CHHS)(H)3	S(CC[6a]HH)(InCl2S)(CCHH)	117.3690	0.000	1	117.3690	0.000	1	117.3690	0.000	1	114.7515	13.703	2	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	3:4:1:1:	4:1:1:1:	4:6:4:	S-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:Nb-6:C-4:	C(SNbC)(CH3)(H)2	C(CHHS)(H)3	S(CC[6a]HH)(NbCl4S)(CCHH)	C(SNbC)(CH3)(H)2	C(CHHS)(H)3	S(CC[6a]HH)(NbCl4S)(CCHH)	112.3180	0.000	1	112.3180	0.000	1	112.3180	0.000	1	112.3180	0.000	1	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	3:4:1:1:	4:1:1:1:	5:4:4:	S-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	Ge-5:C-4:C-4:	C(SGeC)(CH3)(H)2	C(CHHS)(H)3	S(GeF4)(CCHH)2	C(SGeC)(CH3)(H)2	C(CHHS)(H)3	S(GeF4)(CCHH)2	109.6670	0.000	1	109.6670	0.000	1	109.6670	0.000	1	109.6670	0.000	1	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	3:4:1:1:	4:1:1:1:	6:4:4:	S-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	In[4]-6:C-4:C-4:	C(SIn[4]C)(CH3)(H)2	C(CHHS)(H)3	S(In[4]Cl[4]2Cl2S)(CC[6a]HH)(CCHH)	C(SIn[4]C)(CH3)(H)2	C(CHHS)(H)3	S(In[4]Cl[4]2Cl2S)(CC[6a]HH)(CCHH)	113.7650	0.000	1	113.7650	0.000	1	113.7650	0.000	1	113.7650	0.000	1	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	3:4:1:1:	4:2:1:1:	3:4:1:	S-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:O-1:	C(SC[6a]O)(CHHO)(H)2	C(CHHS)(OC)(H)2	S(C[6a]C[6a]2)(CCHH)(O)	C(SC[6a]O)(CHHO)(H)2	C(CHHS)(OC)(H)2	S(C[6a]C[6a]2)(CCHH)(O)	108.9190	0.000	1	108.9190	0.000	1	108.9190	0.000	1	108.9190	0.000	1	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	3:4:1:1:	4:2:1:1:	6:4:4:	S-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	B[3x3,3x5,12x6]-6:C-4:C-4:	C(SB[3x3,3x5,12x6]C)(CHHS)(H)2	C(CHHS)(SC)(H)2	S(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Mo)(CCHH)2	C(SB[3x3,3x5,12x6]C)(CHHS)(H)2	C(CHHS)(SC)(H)2	S(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Mo)(CCHH)2	111.7150	2.807	2	111.7150	7.880	2	111.7150	7.880	2	111.7150	7.880	2	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	3:4:1:1:	4:3:1:1:	3:4:1:	S-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:O-1:	C(SC[6a]O)(CCHH)(H)2	C(CHHS)(CNO)(H)2	S(C[6a]C[6a]2)(CCHH)(O)	C(SC[6a]O)(CCHH)(H)2	C(CHHS)(CNO)(H)2	S(C[6a]C[6a]2)(CCHH)(O)	114.4270	0.000	1	114.4270	0.000	1	114.4270	0.000	1	114.4270	0.000	1	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	3:4:1:1:	4:3:2:1:	3:4:1:	S-3:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:O-1:	C(SC[6a]O)(CCHO)(H)2	C(CHHS)(CCH)(OH)(H)	S(C[6a]C[6a]2)(CCHH)(O)	C(SC[6a]O)(CCHO)(H)2	C(CHHS)(CCH)(OH)(H)	S(C[6a]C[6a]2)(CCHH)(O)	107.7830	0.000	1	107.7830	0.000	1	107.7830	0.000	1	107.7830	0.000	1	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	3:4:1:1:	4:4:1:1:	3:4:1:	S-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:O-1:	C(SC[6]O)(CCHH)(H)2	C(CHHS)(CH3)(H)2	S(C[6]C[6]N[6])(CCHH)(O)	C(SC[6]O)(CCHH)(H)2	C(CHHS)(CH3)(H)2	S(C[6]C[6]N[6])(CCHH)(O)	116.4650	0.000	1	116.4650	0.000	1	116.4650	0.000	1	113.6170	5.393	7	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	3:4:1:1:	4:4:1:1:	3:4:1:	S-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:	C(SC[6a]O)(CCHH)(H)2	C(CCCH)(CHHS)(H)2	S(C[6a]C[6a]2)(CCHH)(O)	C(SC[6a]O)(CCHH)(H)2	C(CCCH)(CHHS)(H)2	S(C[6a]C[6a]2)(CCHH)(O)	116.5660	0.000	1	116.5660	0.000	1	114.1953	3.160	4	113.6170	5.393	7	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	3:4:1:1:	4:4:1:1:	3:4:1:	S-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:	C(SC[6a]O)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	S(C[6a]C[6a]2)(CCHH)(O)	C(SC[6a]O)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	S(C[6a]C[6a]2)(CCHH)(O)	112.3100	0.000	1	112.3100	0.000	1	114.1953	3.160	4	113.6170	5.393	7	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	3:4:1:1:	4:4:1:1:	3:4:1:	S-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:	C(SC[6a]O)(CCHH)(H)2	C(CHHS)2(H)2	S(C[6a]C[6a]2)(CCHH)(O)	C(SC[6a]O)(CCHH)(H)2	C(CHHS)2(H)2	S(C[6a]C[6a]2)(CCHH)(O)	113.9525	0.432	2	113.9525	0.187	2	114.1953	3.160	4	113.6170	5.393	7	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	3:4:1:1:	4:4:1:1:	3:4:1:	S-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:	C(SC[6a]O)(CHHP)(H)2	C(PC[6a]OO)(CHHS)(H)2	S(C[6a]C[6a]2)(CCHH)(O)	C(SC[6a]O)(CHHP)(H)2	C(PC[6a]OO)(CHHS)(H)2	S(C[6a]C[6a]2)(CCHH)(O)	111.2740	0.000	1	111.2740	0.000	1	111.2740	0.000	1	113.6170	5.393	7	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	3:4:1:1:	4:4:1:1:	3:4:1:	S-3:C-4:H-1:H-1:	S-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:	C(SC[6a]O)(CHHS)(H)2	C(SC[6a]OO)(CHHS)(H)2	S(C[6a]C[6a]2)(CCHH)(O)	C(SC[6a]O)(CHHS)(H)2	C(SC[6a]OO)(CHHS)(H)2	S(C[6a]C[6a]2)(CCHH)(O)	110.7990	0.000	1	110.7990	0.000	1	110.7990	0.000	1	113.6170	5.393	7	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	3:4:1:1:	4:4:1:1:	3:4:4:	S-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:	C(SC[6a]C)(CCHH)(H)2	C(CCHH)(CHHS)(H)2	S(C[6a]C[6a]2)(CCHH)(CH3)	C(SC[6a]C)(CCHH)(H)2	C(CCHH)(CHHS)(H)2	S(C[6a]C[6a]2)(CCHH)(CH3)	110.1223	0.810	3	110.1223	0.656	3	110.1223	0.656	3	110.1223	0.656	3	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	3:4:1:1:	4:4:2:1:	3:4:1:	S-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:O-1:	C(SC[6a]O)(CCHO)(H)2	C(CBrCH)(CHHS)(OH)(H)	S(C[6a]C[6a]2)(CCHH)(O)	C(SC[6a]O)(CCHO)(H)2	C(CBrCH)(CHHS)(OH)(H)	S(C[6a]C[6a]2)(CCHH)(O)	114.0590	0.000	1	114.0590	0.000	1	110.7103	2.926	16	110.7103	2.926	16	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	3:4:1:1:	4:4:2:1:	3:4:1:	S-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:O-1:	C(SC[6a]O)(CCHO)(H)2	C(CBrCH)(CHHS)(OSi)(H)	S(C[6a]C[6a]2)(CCHH)(O)	C(SC[6a]O)(CCHO)(H)2	C(CBrCH)(CHHS)(OSi)(H)	S(C[6a]C[6a]2)(CCHH)(O)	109.6950	0.000	1	109.6950	0.000	1	110.7103	2.926	16	110.7103	2.926	16	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	3:4:1:1:	4:4:2:1:	3:4:1:	S-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:O-1:	C(SC[6a]O)(CCHO)(H)2	C(CCCH)(CHHS)(OH)(H)	S(C[6a]C[6a]2)(CCHH)(O)	C(SC[6a]O)(CCHO)(H)2	C(CCCH)(CHHS)(OH)(H)	S(C[6a]C[6a]2)(CCHH)(O)	111.1670	1.324	4	111.1670	1.754	4	110.7103	2.926	16	110.7103	2.926	16	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	3:4:1:1:	4:4:2:1:	3:4:1:	S-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:O-1:	C(SC[6a]O)(CCHO)(H)2	C(CCl3)(CHHS)(OH)(H)	S(C[6a]C[6a]2)(CCHH)(O)	C(SC[6a]O)(CCHO)(H)2	C(CCl3)(CHHS)(OH)(H)	S(C[6a]C[6a]2)(CCHH)(O)	108.4750	0.318	2	108.4750	0.101	2	110.7103	2.926	16	110.7103	2.926	16	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	3:4:1:1:	4:4:2:1:	3:4:1:	S-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:O-1:	C(SC[6a]O)(CCHO)(H)2	C(CClHH)(CHHS)(OH)(H)	S(C[6a]C[6a]2)(CCHH)(O)	C(SC[6a]O)(CCHO)(H)2	C(CClHH)(CHHS)(OH)(H)	S(C[6a]C[6a]2)(CCHH)(O)	108.8660	0.000	1	108.8660	0.000	1	110.7103	2.926	16	110.7103	2.926	16	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	3:4:1:1:	4:4:2:1:	3:4:1:	S-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:O-1:	C(SC[6a]O)(CCHO)(H)2	C(CFFH)(CHHS)(OH)(H)	S(C[6a]C[6a]2)(CCHH)(O)	C(SC[6a]O)(CCHO)(H)2	C(CFFH)(CHHS)(OH)(H)	S(C[6a]C[6a]2)(CCHH)(O)	111.1585	1.566	2	111.1585	2.453	2	110.7103	2.926	16	110.7103	2.926	16	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	3:4:1:1:	4:4:2:1:	3:4:1:	S-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:O-1:	C(SC[6a]O)(CCHO)(H)2	C(CFHH)(CHHS)(OH)(H)	S(C[6a]C[6a]2)(CCHH)(O)	C(SC[6a]O)(CCHO)(H)2	C(CFHH)(CHHS)(OH)(H)	S(C[6a]C[6a]2)(CCHH)(O)	111.6110	0.711	2	111.6110	0.506	2	110.7103	2.926	16	110.7103	2.926	16	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	3:4:1:1:	4:4:2:1:	3:4:1:	S-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:O-1:	C(SC[6a]O)(CCHO)(H)2	C(CHHS)(CF3)(OH)(H)	S(C[6a]C[6a]2)(CCHH)(O)	C(SC[6a]O)(CCHO)(H)2	C(CHHS)(CF3)(OH)(H)	S(C[6a]C[6a]2)(CCHH)(O)	110.5293	1.867	3	110.5293	3.486	3	110.7103	2.926	16	110.7103	2.926	16	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	3:4:1:1:	4:4:4:1:	3:4:1:	S-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-1:	C(SC[6a]O)(CCCH)(H)2	C(CHHS)(CH3)2(H)	S(C[6a]C[6a]2)(CCHH)(O)	C(SC[6a]O)(CCCH)(H)2	C(CHHS)(CH3)2(H)	S(C[6a]C[6a]2)(CCHH)(O)	112.8475	0.148	2	112.8475	0.022	2	112.8475	0.022	2	112.8475	0.022	2	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	3:4:3:1:	3:3:4:2:	3:4:1:	C[6a]-3:C-4:S-3:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C-4:O-1:	C(C[6a]C[6a]2)(CC[6a]2O)(SC[6a]O)(H)	C(C[6a]C[6a]2)2(CC[6a]HS)(OH)	S(C[6a]C[6a]2)(CC[6a]CH)(O)	C(C[6a]C[6a]2)(CC[6a]2O)(SC[6a]O)(H)	C(C[6a]C[6a]2)2(CC[6a]HS)(OH)	S(C[6a]C[6a]2)(CC[6a]CH)(O)	106.9130	0.000	1	106.9130	0.000	1	106.9130	0.000	1	106.9130	0.000	1	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	3:4:3:1:	3:4:2:1:	3:4:1:	C[6a]-3:C-4:S-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:O-1:	C(C[6a]C[6a]2)(CC[6a]HO)(SC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a]HS)(OH)(H)	S(C[6a]C[6a]2)(CC[6a]CH)(O)	C(C[6a]C[6a]2)(CC[6a]HO)(SC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a]HS)(OH)(H)	S(C[6a]C[6a]2)(CC[6a]CH)(O)	105.4280	0.000	1	105.4280	0.000	1	105.4280	0.000	1	105.4280	0.000	1	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	3:4:3:1:	4:1:1:1:	3:4:1:	S-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:O-1:	C(SC[6a]O)(CH3)(CNO)(H)	C(CCHS)(H)3	S(C[6a]C[6a]2)(CCCH)(O)	C(SC[6a]O)(CH3)(CNO)(H)	C(CCHS)(H)3	S(C[6a]C[6a]2)(CCCH)(O)	110.7700	0.000	1	110.7700	0.000	1	110.7700	0.000	1	110.7700	0.000	1	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	3:4:3:1:	4:4:3:1:	3:4:1:	S-3:C-4:C-3:H-1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:O-1:	C(SC[6a]O)(CCCH)(CCO)(H)	C(CCHH)(CCHS)(COO)(H)	S(C[6a]C[6a]2)(CCCH)(O)	C(SC[6a]O)(CCCH)(CCO)(H)	C(CCHH)(CCHS)(COO)(H)	S(C[6a]C[6a]2)(CCCH)(O)	107.0880	0.000	1	107.0880	0.000	1	107.0880	0.000	1	107.0880	0.000	1	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	3:4:4:1:	4:1:1:1:	3:4:1:	S-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:O-1:	C(SC[5a]O)(CH3)2(H)	C(CCHS)(H)3	S(C[5a]C[5a,6a]C[5a])(CCCH)(O)	C(SC[5a]O)(CH3)2(H)	C(CCHS)(H)3	S(C[5a]C[5a,6a]C[5a])(CCCH)(O)	108.9670	3.618	2	108.9670	13.087	2	108.9670	13.087	2	109.7097	7.825	4	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	3:4:4:1:	4:1:1:1:	3:4:1:	S-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:O-1:	C(SC[6a]O)(CH3)2(H)	C(CCHS)(H)3	S(C[6a]C[6a]2)(CCCH)(O)	C(SC[6a]O)(CH3)2(H)	C(CCHS)(H)3	S(C[6a]C[6a]2)(CCCH)(O)	110.4525	2.860	2	110.4525	8.181	2	110.4525	8.181	2	109.7097	7.825	4	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	3:4:4:1:	4:1:1:1:	3:4:2:	S-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:N-2:	C(SN[5]N)(CH3)2(H)	C(CCHS)(H)3	S(N[5]C[5]2)(CCCH)(NS)	C(SN[5]N)(CH3)2(H)	C(CCHS)(H)3	S(N[5]C[5]2)(CCCH)(NS)	107.5800	0.044	2	107.5800	0.002	2	107.5800	0.002	2	107.5800	0.002	2	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	3:4:4:1:	4:1:1:1:	3:4:4:	S-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:B-4:C-4:	C(SC[6a]B)(CH3)2(H)	C(CCHS)(H)3	S(C[6a]C[5a,6a]C[6a])(BBr3)(CCCH)	C(SC[6a]B)(CH3)2(H)	C(CCHS)(H)3	S(C[6a]C[5a,6a]C[6a])(BBr3)(CCCH)	108.6950	1.466	6	108.6950	2.149	6	108.6950	2.149	6	108.6950	2.149	6	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	3:4:4:1:	4:1:1:1:	4:4:1:	S-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:O-1:	C(SC[5]O)(CH3)2(H)	C(CCHS)(H)3	S(C[5]C[5]2Fe)(CCCH)(O)	C(SC[5]O)(CH3)2(H)	C(CCHS)(H)3	S(C[5]C[5]2Fe)(CCCH)(O)	110.8245	2.549	2	110.8245	6.498	2	110.8245	6.498	2	110.8245	6.498	2	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	3:4:4:4:	4:1:1:1:	3:4:1:	S-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:O-1:	C(SC[6a]O)(CH3)3	C(CCCS)(H)3	S(C[6a]C[6,6a]C[6a])(CC3)(O)	C(SC[6a]O)(CH3)3	C(CCCS)(H)3	S(C[6a]C[6,6a]C[6a])(CC3)(O)	107.4550	3.052	6	107.4550	9.312	6	107.4758	10.629	54	107.4464	12.167	129	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	3:4:4:4:	4:1:1:1:	3:4:1:	S-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:O-1:	C(SC[6a]O)(CH3)3	C(CCCS)(H)3	S(C[6a]C[6a]2)(CC3)(O)	C(SC[6a]O)(CH3)3	C(CCCS)(H)3	S(C[6a]C[6a]2)(CC3)(O)	107.4784	3.316	48	107.4784	10.995	48	107.4758	10.629	54	107.4464	12.167	129	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	3:4:4:4:	4:1:1:1:	3:4:1:	S-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[3]-3:C-4:O-1:	C(SN[3]O)(CH3)3	C(CCCS)(H)3	S(N[3]C[3,5]C[3])(CC3)(O)	C(SN[3]O)(CH3)3	C(CCCS)(H)3	S(N[3]C[3,5]C[3])(CC3)(O)	107.1243	3.480	3	107.1243	12.113	3	107.2410	10.466	24	107.4464	12.167	129	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	3:4:4:4:	4:1:1:1:	3:4:1:	S-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[3]-3:C-4:O-1:	C(SN[3]O)(CH3)3	C(CCCS)(H)3	S(N[3]C[3]2)(CC3)(O)	C(SN[3]O)(CH3)3	C(CCCS)(H)3	S(N[3]C[3]2)(CC3)(O)	107.2577	3.290	21	107.2577	10.822	21	107.2410	10.466	24	107.4464	12.167	129	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	3:4:4:4:	4:1:1:1:	3:4:1:	S-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:O-1:	C(SN[5]O)(CH3)3	C(CCCS)(H)3	S(N[5]C[5,6]C[5])(CC3)(O)	C(SN[5]O)(CH3)3	C(CCCS)(H)3	S(N[5]C[5,6]C[5])(CC3)(O)	107.4646	3.446	9	107.4646	11.877	9	107.6028	13.688	30	107.4464	12.167	129	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	3:4:4:4:	4:1:1:1:	3:4:1:	S-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:O-1:	C(SN[5]O)(CH3)3	C(CCCS)(H)3	S(N[5]C[5]2)(CC3)(O)	C(SN[5]O)(CH3)3	C(CCCS)(H)3	S(N[5]C[5]2)(CC3)(O)	107.6621	3.884	21	107.6621	15.084	21	107.6028	13.688	30	107.4464	12.167	129	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	3:4:4:4:	4:1:1:1:	3:4:1:	S-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:O-1:	C(SN[6]O)(CH3)3	C(CCCS)(H)3	S(N[6]C[6,6]C[6])(CC3)(O)	C(SN[6]O)(CH3)3	C(CCCS)(H)3	S(N[6]C[6,6]C[6])(CC3)(O)	107.1103	3.991	6	107.1103	15.931	6	107.3820	17.722	21	107.4464	12.167	129	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	3:4:4:4:	4:1:1:1:	3:4:1:	S-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:O-1:	C(SN[6]O)(CH3)3	C(CCCS)(H)3	S(N[6]C[6]2)(CC3)(O)	C(SN[6]O)(CH3)3	C(CCCS)(H)3	S(N[6]C[6]2)(CC3)(O)	107.4907	4.425	15	107.4907	19.583	15	107.3820	17.722	21	107.4464	12.167	129	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	3:4:4:4:	4:1:1:1:	4:4:1:	S-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:O-1:	C(SC[5]O)(CH3)3	C(CCCS)(H)3	S(C[5]C[5]2Fe)(CC3)(O)	C(SC[5]O)(CH3)3	C(CCCS)(H)3	S(C[5]C[5]2Fe)(CC3)(O)	107.4063	3.328	18	107.4063	11.076	18	107.4063	11.076	18	107.4063	11.076	18	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	4:3:1:1:	3:4:1:1:	4:3:1:	C-4:S-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:O-1:	C(CC[6a]HH)(SNO)(H)2	C(C[6a]C[6a]2)(CHHS)(H)2	S(CCHH)(NHH)(O)	C(CC[6a]HH)(SNO)(H)2	C(C[6a]C[6a]2)(CHHS)(H)2	S(CCHH)(NHH)(O)	111.7910	0.000	1	111.7910	0.000	1	111.7910	0.000	1	111.7910	0.000	1	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	4:3:1:1:	3:4:1:1:	4:4:1:	C-4:S-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:O-1:	C(CC[6a]HH)(SCO)(H)2	C(C[6a]C[6a]2)(CHHS)(H)2	S(CCHH)2(O)	C(CC[6a]HH)(SCO)(H)2	C(C[6a]C[6a]2)(CHHS)(H)2	S(CCHH)2(O)	110.6317	0.098	4	110.6317	0.010	4	110.6317	0.010	4	110.6317	0.010	4	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	4:3:1:1:	3:4:1:1:	4:4:3:	C-4:S-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:	C(CC[6a]HH)(SCC)(H)2	C(C[6a]C[6a]2)(CHHS)(H)2	S(CCHH)(CF3)(CCC)	C(CC[6a]HH)(SCC)(H)2	C(C[6a]C[6a]2)(CHHS)(H)2	S(CCHH)(CF3)(CCC)	108.6960	0.000	1	108.6960	0.000	1	108.6960	0.000	1	108.6960	0.000	1	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	4:3:1:1:	3:4:2:1:	3:4:1:	C-4:S-3:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:O-1:	C(CC[6a]HO)(SC[6a]O)(H)2	C(C[6a]C[6a]2)(CHHS)(OC)(H)	S(C[6a]C[6a]2)(CCHH)(O)	C(CC[6a]HO)(SC[6a]O)(H)2	C(C[6a]C[6a]2)(CHHS)(OC)(H)	S(C[6a]C[6a]2)(CCHH)(O)	115.8790	0.000	1	115.8790	0.000	1	115.8790	0.000	1	115.8790	0.000	1	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	4:3:1:1:	4:1:1:1:	4:4:1:	C-4:S-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:I-1:	C(CH3)(SCI)(H)2	C(CHHS)(H)3	S(CCHH)2(I)	C(CH3)(SCI)(H)2	C(CHHS)(H)3	S(CCHH)2(I)	111.8964	3.149	8	111.8964	9.918	8	111.8964	9.918	8	111.5444	8.473	10	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	4:3:1:1:	4:1:1:1:	4:4:1:	C-4:S-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:O-1:	C(CH3)(SCO)(H)2	C(CHHS)(H)3	S(CCHH)2(O)	C(CH3)(SCO)(H)2	C(CHHS)(H)3	S(CCHH)2(O)	111.1040	0.000	1	111.1040	0.000	1	110.1365	1.872	2	111.5444	8.473	10	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	4:3:1:1:	4:1:1:1:	4:4:1:	C-4:S-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:O-1:	C(CH3)(SCO)(H)2	C(CHHS)(H)3	S(CSeCH)(CCHH)(O)	C(CH3)(SCO)(H)2	C(CHHS)(H)3	S(CSeCH)(CCHH)(O)	109.1690	0.000	1	109.1690	0.000	1	110.1365	1.872	2	111.5444	8.473	10	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	4:3:1:1:	4:1:1:1:	4:4:2:	C-4:S-3:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:C-4:S-2:	C(CClHH)(SCS)(H)2	C(CHHS)(Cl)(H)2	S(CCHH)2(SC)	C(CClHH)(SCS)(H)2	C(CHHS)(Cl)(H)2	S(CCHH)2(SC)	113.7740	0.000	1	113.7740	0.000	1	113.7740	0.000	1	113.7740	0.000	1	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:S-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)(SCC)(H)2	C(CHHS)(H)3	S(CCHH)3	C(CH3)(SCC)(H)2	C(CHHS)(H)3	S(CCHH)3	113.6280	3.153	3	113.6280	9.939	3	113.6280	9.939	3	113.6280	9.939	3	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	4:3:1:1:	4:2:1:1:	4:4:1:	C-4:S-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:O-1:	C(CHHO)(SCO)(H)2	C(CHHS)(OC)(H)2	S(CCHH)2(O)	C(CHHO)(SCO)(H)2	C(CHHS)(OC)(H)2	S(CCHH)2(O)	109.4775	0.585	2	109.4775	0.342	2	110.1898	1.283	4	111.4447	3.989	7	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	4:3:1:1:	4:2:1:1:	4:4:1:	C-4:S-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:O-1:	C(CHHO)(SCO)(H)2	C(CHHS)(OH)(H)2	S(CCHH)2(O)	C(CHHO)(SCO)(H)2	C(CHHS)(OH)(H)2	S(CCHH)2(O)	110.9020	1.216	2	110.9020	1.479	2	110.1898	1.283	4	111.4447	3.989	7	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	4:3:1:1:	4:2:1:1:	4:4:1:	C-4:S-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:C-4:H-1:	C(CHHS)(SCH)(H)2	C(CHHS)(SC)(H)2	S(CCHH)2(H)	C(CHHS)(SCH)(H)2	C(CHHS)(SC)(H)2	S(CCHH)2(H)	113.0860	2.319	2	113.0860	5.379	2	113.0860	5.379	2	111.4447	3.989	7	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	4:3:1:1:	4:2:1:1:	4:4:1:	C-4:S-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:C-4:Se-1:	C(CHHS)(SSeC)(H)2	C(CHHS)(SC)(H)2	S(CCHH)(CH3)(Se)	C(CHHS)(SSeC)(H)2	C(CHHS)(SC)(H)2	S(CCHH)(CH3)(Se)	113.1820	0.000	1	113.1820	0.000	1	113.1820	0.000	1	111.4447	3.989	7	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	4:3:1:1:	4:2:1:1:	4:4:2:	C-4:S-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:N-2:	C(CHHO)(SCN)(H)2	C(CHHS)(OC)(H)2	S(CCHH)2(NS)	C(CHHO)(SCN)(H)2	C(CHHS)(OC)(H)2	S(CCHH)2(NS)	111.5609	2.826	12	111.5609	7.985	12	111.5609	7.985	12	112.2167	10.089	14	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	4:3:1:1:	4:2:1:1:	4:4:2:	C-4:S-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:C-4:N-2:	C(CHHS)(SCN)(H)2	C(CHHS)(SC)(H)2	S(CCHH)2(NS)	C(CHHS)(SCN)(H)2	C(CHHS)(SC)(H)2	S(CCHH)2(NS)	116.1515	2.683	2	116.1515	7.201	2	116.1515	7.201	2	112.2167	10.089	14	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	4:3:1:1:	4:2:1:1:	4:4:3:	C-4:S-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:	C(CHHO)(SCN)(H)2	C(CHHS)(OC)(H)2	S(CCHH)2(NHH)	C(CHHO)(SCN)(H)2	C(CHHS)(OC)(H)2	S(CCHH)2(NHH)	112.1915	2.222	2	112.1915	4.939	2	112.1915	4.939	2	112.1915	4.939	2	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	4:3:1:1:	4:2:1:1:	5:4:4:	C-4:S-3:H-1:H-1:	C-4:S-2:H-1:H-1:	Ge-5:C-4:C-4:	C(CHHS)(SGeC)(H)2	C(CHHS)(SC)(H)2	S(GeF4)(CCHH)(CH3)	C(CHHS)(SGeC)(H)2	C(CHHS)(SC)(H)2	S(GeF4)(CCHH)(CH3)	113.0590	0.000	1	113.0590	0.000	1	113.3115	0.128	2	113.3115	0.128	2	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	4:3:1:1:	4:2:1:1:	5:4:4:	C-4:S-3:H-1:H-1:	C-4:S-2:H-1:H-1:	Ge-5:C-4:C-4:	C(CHHS)(SGeC)(H)2	C(CHHS)(SC)(H)2	S(GeF4)(CCHH)2	C(CHHS)(SGeC)(H)2	C(CHHS)(SC)(H)2	S(GeF4)(CCHH)2	113.5640	0.000	1	113.5640	0.000	1	113.3115	0.128	2	113.3115	0.128	2	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	4:3:1:1:	4:3:1:1:	4:4:1:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:C-4:O-1:	C(CHHS)(SCO)(H)2	C(CHHS)(SCO)(H)2	S(CCHH)2(O)	C(CHHS)(SCO)(H)2	C(CHHS)(SCO)(H)2	S(CCHH)2(O)	109.1135	1.117	2	109.1135	1.247	2	109.0200	0.650	3	109.0200	0.650	3	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	4:3:1:1:	4:3:1:1:	4:4:1:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:C-4:O-1:	C(CHHS)(SCO)(H)2	C(CHHS)(SCO)(H)2	S(CC[6a]HH)(CCHH)(O)	C(CHHS)(SCO)(H)2	C(CHHS)(SCO)(H)2	S(CC[6a]HH)(CCHH)(O)	108.8330	0.000	1	108.8330	0.000	1	109.0200	0.650	3	109.0200	0.650	3	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:S-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(SCC)(H)2	C(CHHS)(COO)(H)2	S(CCHH)(CH3)2	C(CCHH)(SCC)(H)2	C(CHHS)(COO)(H)2	S(CCHH)(CH3)2	115.9380	0.000	1	115.9380	0.000	1	115.9380	0.000	1	113.3890	12.995	2	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:Ga-4:C-4:	C(CHHS)(SGaC)(H)2	C(CHHS)(SGaC)(H)2	S(CCHH)(GaI3)(CH3)	C(CHHS)(SGaC)(H)2	C(CHHS)(SGaC)(H)2	S(CCHH)(GaI3)(CH3)	110.8400	0.000	1	110.8400	0.000	1	110.8400	0.000	1	113.3890	12.995	2	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	4:3:1:1:	4:3:3:1:	4:4:1:	C-4:S-3:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:C-4:O-1:	C(CCHN)(SCO)(H)2	C(CHHS)(COO)(NCH)(H)	S(CCHH)(CH3)(O)	C(CCHN)(SCO)(H)2	C(CHHS)(COO)(NCH)(H)	S(CCHH)(CH3)(O)	109.5310	0.000	1	109.5310	0.000	1	110.0517	0.226	3	110.0517	0.226	3	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	4:3:1:1:	4:3:3:1:	4:4:1:	C-4:S-3:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:C-4:O-1:	C(CCHN)(SCO)(H)2	C(CHHS)(COO)(NCH)(H)	S(CCHH)2(O)	C(CCHN)(SCO)(H)2	C(CHHS)(COO)(NCH)(H)	S(CCHH)2(O)	110.3120	0.212	2	110.3120	0.045	2	110.0517	0.226	3	110.0517	0.226	3	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	4:3:1:1:	4:3:3:1:	4:4:2:	C-4:S-3:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:C-4:N-2:	C(CCHN)(SCN)(H)2	C(CHHS)(CNO)(NCH)(H)	S(CCHH)2(NS)	C(CCHN)(SCN)(H)2	C(CHHS)(CNO)(NCH)(H)	S(CCHH)2(NS)	112.1340	0.000	2	112.1340	0.000	2	112.1340	0.000	2	112.1340	0.000	2	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:S-3:Cl-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:	C(CC[5]HH)(SC[6a]O)(Cl)(H)	C(C[5]O[5]2H)(CClHS)(H)2	S(C[6a]C[6a]2)(CClCH)(O)	C(CC[5]HH)(SC[6a]O)(Cl)(H)	C(C[5]O[5]2H)(CClHS)(H)2	S(C[6a]C[6a]2)(CClCH)(O)	111.1715	5.361	2	111.1715	28.736	2	111.1715	28.736	2	111.8827	15.885	3	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:S-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:	C(CC[5]HH)(SC[6a]O)(H)2	C(C[5]O[5]2H)(CHHS)(H)2	S(C[6a]C[6a]2)(CCHH)(O)	C(CC[5]HH)(SC[6a]O)(H)2	C(C[5]O[5]2H)(CHHS)(H)2	S(C[6a]C[6a]2)(CCHH)(O)	113.3050	0.000	1	113.3050	0.000	1	113.3050	0.000	1	111.8827	15.885	3	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	4:3:1:1:	4:4:1:1:	4:3:1:	C-4:S-3:F-1:F-1:	C-4:C-4:F-1:F-1:	C-4:N-3:O-1:	C(CCFF)(SNO)(F)2	C(CCFF)(CFFS)(F)2	S(CCFF)(NCH)(O)	C(CCFF)(SNO)(F)2	C(CCFF)(CFFS)(F)2	S(CCFF)(NCH)(O)	112.0620	0.000	1	112.0620	0.000	1	112.0620	0.000	1	112.0620	0.000	1	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-1:	C(CCHH)(SCO)(H)2	C(CCHH)(CHHS)(H)2	S(CC[6a]HH)(CCHH)(O)	C(CCHH)(SCO)(H)2	C(CCHH)(CHHS)(H)2	S(CC[6a]HH)(CCHH)(O)	109.0800	0.000	1	109.0800	0.000	1	109.1770	0.019	2	109.1770	0.019	2	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-1:	C(CCHH)(SCO)(H)2	C(CHHS)(CH3)(H)2	S(CCHH)2(O)	C(CCHH)(SCO)(H)2	C(CHHS)(CH3)(H)2	S(CCHH)2(O)	109.2740	0.000	1	109.2740	0.000	1	109.1770	0.019	2	109.1770	0.019	2	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	4:3:1:1:	4:4:1:1:	4:4:2:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-2:	C(CCHH)(SCN)(H)2	C(CCHH)(CHHS)(H)2	S(CCHH)2(NS)	C(CCHH)(SCN)(H)2	C(CCHH)(CHHS)(H)2	S(CCHH)2(NS)	111.1330	0.000	2	111.1330	0.000	2	111.1330	0.000	2	110.3263	1.952	3	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	4:3:1:1:	4:4:1:1:	4:4:2:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:S-2:	C(CCHH)(SCS)(H)2	C(CHHS)(CF3)(H)2	S(CCHH)2(SC)	C(CCHH)(SCS)(H)2	C(CHHS)(CF3)(H)2	S(CCHH)2(SC)	108.7130	0.000	1	108.7130	0.000	1	108.7130	0.000	1	110.3263	1.952	3	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(SCC)(H)2	C(CCHH)(CHHS)(H)2	S(CCHH)(CH3)2	C(CCHH)(SCC)(H)2	C(CCHH)(CHHS)(H)2	S(CCHH)(CH3)2	111.9938	1.956	6	111.9938	3.828	6	112.7037	5.899	9	112.7717	4.546	12	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(SCC)(H)2	C(CCHH)(CHHS)(H)2	S(CCHH)3	C(CCHH)(SCC)(H)2	C(CCHH)(CHHS)(H)2	S(CCHH)3	114.1233	3.081	3	114.1233	9.492	3	112.7037	5.899	9	112.7717	4.546	12	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:S-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(SCC)(H)2	C(CHHS)(NH3)(H)2	S(CCHH)(CH3)2	C(CHHN)(SCC)(H)2	C(CHHS)(NH3)(H)2	S(CCHH)(CH3)2	112.9757	1.151	3	112.9757	1.325	3	112.9757	1.325	3	112.7717	4.546	12	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	4:3:1:1:	4:4:2:1:	4:4:1:	C-4:S-3:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:C-4:O-1:	C(CCHN)(SCO)(H)2	C(CHHO)(CHHS)(NC)(H)	S(CCHH)(CHHS)(O)	C(CCHN)(SCO)(H)2	C(CHHO)(CHHS)(NC)(H)	S(CCHH)(CHHS)(O)	110.7550	0.000	1	110.7550	0.000	1	110.7550	0.000	1	111.5675	1.320	2	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	4:3:1:1:	4:4:2:1:	4:4:1:	C-4:S-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-1:	C(CCHO)(SCO)(H)2	C(CCCH)(CHHS)(OH)(H)	S(CCHH)(CC3)(O)	C(CCHO)(SCO)(H)2	C(CCCH)(CHHS)(OH)(H)	S(CCHH)(CC3)(O)	112.3800	0.000	1	112.3800	0.000	1	112.3800	0.000	1	111.5675	1.320	2	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	4:3:1:1:	4:4:3:1:	4:3:1:	C-4:S-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:O-1:	C(CCHN)(SCO)(H)2	C(CC[6a]HH)(CHHS)(NCH)(H)	S(CCHH)(CCH)(O)	C(CCHN)(SCO)(H)2	C(CC[6a]HH)(CHHS)(NCH)(H)	S(CCHH)(CCH)(O)	111.2840	0.000	1	111.2840	0.000	1	111.2840	0.000	1	111.2840	0.000	1	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	4:3:1:1:	4:4:4:1:	4:4:1:	C-4:S-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-1:	C(CCCH)(SCO)(H)2	C(CCHH)2(CHHS)(H)	S(CC[6a]HH)(CCHH)(O)	C(CCCH)(SCO)(H)2	C(CCHH)2(CHHS)(H)	S(CC[6a]HH)(CCHH)(O)	111.6680	0.000	1	111.6680	0.000	1	111.6680	0.000	1	111.6680	0.000	1	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	4:3:1:1:	4:4:4:2:	4:4:4:	C-4:S-3:H-1:H-1:	C-4:P-4:P-4:O-2:	C-4:C-4:C-4:	C(COPP)(SCC)(H)2	C(CHHS)(PO3)2(OH)	S(CCHH)(CH3)2	C(COPP)(SCC)(H)2	C(CHHS)(PO3)2(OH)	S(CCHH)(CH3)2	110.9840	0.000	1	110.9840	0.000	1	110.9840	0.000	1	110.9840	0.000	1	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	4:3:4:4:	3:4:2:1:	3:4:1:	C-4:S-3:C-4:C-4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:O-1:	C(CC[6a]HO)(SC[6a]O)(CH3)2	C(C[6a]C[6a]2)(CCCS)(OH)(H)	S(C[6a]C[6a]2)(CC3)(O)	C(CC[6a]HO)(SC[6a]O)(CH3)2	C(C[6a]C[6a]2)(CCCS)(OH)(H)	S(C[6a]C[6a]2)(CC3)(O)	107.1210	0.000	1	107.1210	0.000	1	107.1210	0.000	1	107.1210	0.000	1	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	4:3:4:4:	4:1:1:1:	3:4:1:	C-4:S-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:O-1:	C(CC[6a]HO)(SC[6a]O)(CH3)2	C(CCCS)(H)3	S(C[6a]C[6a]2)(CC3)(O)	C(CC[6a]HO)(SC[6a]O)(CH3)2	C(CCCS)(H)3	S(C[6a]C[6a]2)(CC3)(O)	106.3525	4.000	2	106.3525	16.001	2	106.3525	16.001	2	106.3525	16.001	2	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	4:4:3:1:	4:1:1:1:	4:2:1:	C-4:C-4:S-3:H-1:	C-4:H-1:H-1:H-1:	C-4:N-2:O-1:	C(CH3)2(SNO)(H)	C(CCHS)(H)3	S(CCCH)(NC)(O)	C(CH3)2(SNO)(H)	C(CCHS)(H)3	S(CCCH)(NC)(O)	109.4125	3.334	2	109.4125	11.116	2	109.4125	11.116	2	109.4125	11.116	2	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	4:4:4:3:	4:1:1:1:	2:4:1:	C-4:C-4:C-4:S-3:	C-4:H-1:H-1:H-1:	N-2:C-4:O-1:	C(CH3)3(SNO)	C(CCCS)(H)3	S(NC[5])(CC3)(O)	C(CH3)3(SNO)	C(CCCS)(H)3	S(NC[5])(CC3)(O)	107.2383	3.001	6	107.2383	9.008	6	107.3295	7.983	24	107.3295	7.983	24	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	4:4:4:3:	4:1:1:1:	2:4:1:	C-4:C-4:C-4:S-3:	C-4:H-1:H-1:H-1:	N-2:C-4:O-1:	C(CH3)3(SNO)	C(CCCS)(H)3	S(NC[6])(CC3)(O)	C(CH3)3(SNO)	C(CCCS)(H)3	S(NC[6])(CC3)(O)	107.3599	2.854	18	107.3599	8.148	18	107.3295	7.983	24	107.3295	7.983	24	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	4:4:4:3:	4:1:1:1:	3:4:1:	C-4:C-4:C-4:S-3:	C-4:H-1:H-1:H-1:	N-3:C-4:O-1:	C(CH3)3(SNO)	C(CCCS)(H)3	S(NC[3]H)(CC3)(O)	C(CH3)3(SNO)	C(CCCS)(H)3	S(NC[3]H)(CC3)(O)	107.2967	3.873	3	107.2967	14.997	3	107.4408	9.461	168	107.4408	9.461	168	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	4:4:4:3:	4:1:1:1:	3:4:1:	C-4:C-4:C-4:S-3:	C-4:H-1:H-1:H-1:	N-3:C-4:O-1:	C(CH3)3(SNO)	C(CCCS)(H)3	S(NC[4]H)(CC3)(O)	C(CH3)3(SNO)	C(CCCS)(H)3	S(NC[4]H)(CC3)(O)	107.4535	2.925	12	107.4535	8.554	12	107.4408	9.461	168	107.4408	9.461	168	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	4:4:4:3:	4:1:1:1:	3:4:1:	C-4:C-4:C-4:S-3:	C-4:H-1:H-1:H-1:	N-3:C-4:O-1:	C(CH3)3(SNO)	C(CCCS)(H)3	S(NC[4a]H)(CC3)(O)	C(CH3)3(SNO)	C(CCCS)(H)3	S(NC[4a]H)(CC3)(O)	107.3312	3.329	12	107.3312	11.080	12	107.4408	9.461	168	107.4408	9.461	168	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	4:4:4:3:	4:1:1:1:	3:4:1:	C-4:C-4:C-4:S-3:	C-4:H-1:H-1:H-1:	N-3:C-4:O-1:	C(CH3)3(SNO)	C(CCCS)(H)3	S(NC[5]C)(CC3)(O)	C(CH3)3(SNO)	C(CCCS)(H)3	S(NC[5]C)(CC3)(O)	107.6022	4.627	6	107.6022	21.407	6	107.4408	9.461	168	107.4408	9.461	168	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	4:4:4:3:	4:1:1:1:	3:4:1:	C-4:C-4:C-4:S-3:	C-4:H-1:H-1:H-1:	N-3:C-4:O-1:	C(CH3)3(SNO)	C(CCCS)(H)3	S(NC[5]H)(CC3)(O)	C(CH3)3(SNO)	C(CCCS)(H)3	S(NC[5]H)(CC3)(O)	107.3675	3.103	48	107.3675	9.630	48	107.4408	9.461	168	107.4408	9.461	168	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	4:4:4:3:	4:1:1:1:	3:4:1:	C-4:C-4:C-4:S-3:	C-4:H-1:H-1:H-1:	N-3:C-4:O-1:	C(CH3)3(SNO)	C(CCCS)(H)3	S(NC[6]C)(CC3)(O)	C(CH3)3(SNO)	C(CCCS)(H)3	S(NC[6]C)(CC3)(O)	107.9883	5.390	3	107.9883	29.048	3	107.4408	9.461	168	107.4408	9.461	168	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	4:4:4:3:	4:1:1:1:	3:4:1:	C-4:C-4:C-4:S-3:	C-4:H-1:H-1:H-1:	N-3:C-4:O-1:	C(CH3)3(SNO)	C(CCCS)(H)3	S(NC[6]H)(CC3)(O)	C(CH3)3(SNO)	C(CCCS)(H)3	S(NC[6]H)(CC3)(O)	107.4659	2.961	63	107.4659	8.766	63	107.4408	9.461	168	107.4408	9.461	168	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	4:4:4:3:	4:1:1:1:	3:4:1:	C-4:C-4:C-4:S-3:	C-4:H-1:H-1:H-1:	N-3:C-4:O-1:	C(CH3)3(SNO)	C(CCCS)(H)3	S(NC[6a]H)(CC3)(O)	C(CH3)3(SNO)	C(CCCS)(H)3	S(NC[6a]H)(CC3)(O)	107.4849	2.926	21	107.4849	8.564	21	107.4408	9.461	168	107.4408	9.461	168	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	4:4:4:3:	4:1:1:1:	4:2:1:	C-4:C-4:C-4:S-3:	C-4:H-1:H-1:H-1:	C-4:N-2:O-1:	C(CH3)3(SNO)	C(CCCS)(H)3	S(CC3)(NC)(O)	C(CH3)3(SNO)	C(CCCS)(H)3	S(CC3)(NC)(O)	107.2786	2.675	173	107.2786	7.155	173	107.2786	7.155	173	107.2786	7.155	173	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	4:4:4:3:	4:1:1:1:	4:3:1:	C-4:C-4:C-4:S-3:	C-4:H-1:H-1:H-1:	C-4:N-3:O-1:	C(CH3)3(SNO)	C(CCCS)(H)3	S(CC3)(NCC)(O)	C(CH3)3(SNO)	C(CCCS)(H)3	S(CC3)(NCC)(O)	107.6385	4.203	30	107.6385	17.668	30	107.4886	8.497	538	107.4886	8.497	538	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	4:4:4:3:	4:1:1:1:	4:3:1:	C-4:C-4:C-4:S-3:	C-4:H-1:H-1:H-1:	C-4:N-3:O-1:	C(CH3)3(SNO)	C(CCCS)(H)3	S(CC3)(NCH)(O)	C(CH3)3(SNO)	C(CCCS)(H)3	S(CC3)(NCH)(O)	107.4792	2.811	505	107.4792	7.900	505	107.4886	8.497	538	107.4886	8.497	538	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	4:4:4:3:	4:1:1:1:	4:3:1:	C-4:C-4:C-4:S-3:	C-4:H-1:H-1:H-1:	C-4:N-3:O-1:	C(CH3)3(SNO)	C(CCCS)(H)3	S(CC3)(NCP)(O)	C(CH3)3(SNO)	C(CCCS)(H)3	S(CC3)(NCP)(O)	107.5700	5.849	3	107.5700	34.208	3	107.4886	8.497	538	107.4886	8.497	538	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	4:4:4:3:	4:1:1:1:	4:4:1:	C-4:C-4:C-4:S-3:	C-4:H-1:H-1:H-1:	C-4:C-4:O-1:	C(CH3)3(SCO)	C(CCCS)(H)3	S(CCHH)(CC3)(O)	C(CH3)3(SCO)	C(CCCS)(H)3	S(CCHH)(CC3)(O)	107.6917	3.175	3	107.6917	10.078	3	107.7225	8.976	18	107.6891	8.403	24	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	4:4:4:3:	4:1:1:1:	4:4:1:	C-4:C-4:C-4:S-3:	C-4:H-1:H-1:H-1:	C-4:C-4:O-1:	C(CH3)3(SCO)	C(CCCS)(H)3	S(CC[6a]HH)(CC3)(O)	C(CH3)3(SCO)	C(CCCS)(H)3	S(CC[6a]HH)(CC3)(O)	107.7287	3.076	15	107.7287	9.460	15	107.7225	8.976	18	107.6891	8.403	24	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	4:4:4:3:	4:1:1:1:	4:4:1:	C-4:C-4:C-4:S-3:	C-4:H-1:H-1:H-1:	N-4:C-4:O-1:	C(CH3)3(SNO)	C(CCCS)(H)3	S(NCHH)(CC3)(O)	C(CH3)3(SNO)	C(CCCS)(H)3	S(NCHH)(CC3)(O)	107.5890	2.850	6	107.5890	8.120	6	107.5890	8.120	6	107.6891	8.403	24	107.9674	10.118	1260	107.9674	10.118	1260
490	490	887	0:SP3_SP3_SP3	C	C	S	4:4:4:3:	4:1:1:1:	4:4:2:	C-4:C-4:C-4:S-3:	C-4:H-1:H-1:H-1:	C-4:C-4:N-2:	C(CH3)3(SCN)	C(CCCS)(H)3	S(CC3)(CH3)(NC)	C(CH3)3(SCN)	C(CCCS)(H)3	S(CC3)(CH3)(NC)	107.3610	3.749	3	107.3610	14.057	3	107.3610	14.057	3	107.3610	14.057	3	107.9674	10.118	1260	107.9674	10.118	1260
490	490	890	0:SP3_SP3_SP3	C	C	As	4:4:1:1:	4:1:1:1:	4:4:4:1:	As-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:Cl-1:	C(AsClCC)(CH3)(H)2	C(CAsHH)(H)3	As(CCHH)3(Cl)	C(AsClCC)(CH3)(H)2	C(CAsHH)(H)3	As(CCHH)3(Cl)	111.4450	0.283	3	111.4450	0.080	3	111.4450	0.080	3	111.4450	0.080	3	114.1413	12.330	22	114.1413	12.330	22
490	490	890	0:SP3_SP3_SP3	C	C	As	4:4:1:1:	4:1:1:1:	4:4:4:4:	As-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(AsC3)(CH3)(H)2	C(CAsHH)(H)3	As(CCHH)(CH3)3	C(AsC3)(CH3)(H)2	C(CAsHH)(H)3	As(CCHH)(CH3)3	112.3590	0.000	1	112.3590	0.000	1	112.7565	0.316	2	112.7565	0.316	2	114.1413	12.330	22	114.1413	12.330	22
490	490	890	0:SP3_SP3_SP3	C	C	As	4:4:1:1:	4:1:1:1:	4:4:4:4:	As-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(AsC3)(CH3)(H)2	C(CAsHH)(H)3	As(CCHH)2(CH3)2	C(AsC3)(CH3)(H)2	C(CAsHH)(H)3	As(CCHH)2(CH3)2	113.1540	0.000	1	113.1540	0.000	1	112.7565	0.316	2	112.7565	0.316	2	114.1413	12.330	22	114.1413	12.330	22
490	490	890	0:SP3_SP3_SP3	C	C	As	4:4:1:1:	4:1:1:1:	6:4:4:4:	As-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	Ge-6:C-4:C-4:C-4:	C(AsGeCC)(CH3)(H)2	C(CAsHH)(H)3	As(GeAsCl4)(CCHH)3	C(AsGeCC)(CH3)(H)2	C(CAsHH)(H)3	As(GeAsCl4)(CCHH)3	113.7727	1.027	3	113.7727	1.055	3	113.7727	1.055	3	113.7727	1.055	3	114.1413	12.330	22	114.1413	12.330	22
490	490	890	0:SP3_SP3_SP3	C	C	As	4:4:1:1:	4:4:1:1:	3:3:3:4:	As-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(AsC[6a]3)(CCHH)(H)2	C(CAsHH)(CHHS)(H)2	As(C[6a]C[6a]2)3(CCHH)	C(AsC[6a]3)(CCHH)(H)2	C(CAsHH)(CHHS)(H)2	As(C[6a]C[6a]2)3(CCHH)	113.9630	0.158	2	113.9630	0.025	2	113.9630	0.025	2	113.9630	0.025	2	114.1413	12.330	22	114.1413	12.330	22
490	490	890	0:SP3_SP3_SP3	C	C	As	4:4:1:1:	4:4:1:1:	3:3:4:1:	As-4:C-4:H-1:H-1:	As-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:S-1:	C(AsC[6a]2S)(CAsHH)(H)2	C(AsC[6a]2S)(CAsHH)(H)2	As(C[6a]C[6a]2)2(CCHH)(S)	C(AsC[6a]2S)(CAsHH)(H)2	C(AsC[6a]2S)(CAsHH)(H)2	As(C[6a]C[6a]2)2(CCHH)(S)	110.3800	0.000	1	110.3800	0.000	1	110.3800	0.000	1	110.3800	0.000	1	114.1413	12.330	22	114.1413	12.330	22
490	490	890	0:SP3_SP3_SP3	C	C	As	4:4:1:1:	4:4:1:1:	3:3:4:4:	As-4:C-4:H-1:H-1:	As-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:Ga-4:	C(AsC[6a]2Ga)(CAsHH)(H)2	C(AsC[6a]2Ga)(CAsHH)(H)2	As(C[6a]C[6a]2)2(CCHH)(GaI3)	C(AsC[6a]2Ga)(CAsHH)(H)2	C(AsC[6a]2Ga)(CAsHH)(H)2	As(C[6a]C[6a]2)2(CCHH)(GaI3)	111.1745	0.105	2	111.1745	0.011	2	111.1745	0.011	2	111.1745	0.011	2	114.1413	12.330	22	114.1413	12.330	22
490	490	890	0:SP3_SP3_SP3	C	C	As	4:4:1:1:	4:4:1:1:	4:2:2:2:	As-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:O-2:O-2:	C(AsO3)(CCHH)(H)2	C(CAsHH)(CH3)(H)2	As(CCHH)(OSn)3	C(AsO3)(CCHH)(H)2	C(CAsHH)(CH3)(H)2	As(CCHH)(OSn)3	113.6600	1.780	5	113.6600	3.170	5	113.6600	3.170	5	113.6600	3.170	5	114.1413	12.330	22	114.1413	12.330	22
490	490	890	0:SP3_SP3_SP3	C	C	As	4:4:1:1:	4:4:4:2:	4:4:4:4:	As-4:C-4:H-1:H-1:	C-4:P-4:P-4:O-2:	C-4:C-4:C-4:C-4:	C(AsC3)(COPP)(H)2	C(CAsHH)(PO3)2(OH)	As(CCHH)(CH3)3	C(AsC3)(COPP)(H)2	C(CAsHH)(PO3)2(OH)	As(CCHH)(CH3)3	115.6070	0.000	1	115.6070	0.000	1	115.6070	0.000	1	115.6070	0.000	1	114.1413	12.330	22	114.1413	12.330	22
490	490	890	0:SP3_SP3_SP3	C	C	As	4:4:1:1:	4:4:4:4:	4:4:4:4:	As-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:Ga-4:C-4:C-4:	C(AsGaCC)(CC3)(H)2	C(CAsHH)3(CH3)	As(CCHH)(GaI3)(CH3)2	C(AsGaCC)(CC3)(H)2	C(CAsHH)3(CH3)	As(CCHH)(GaI3)(CH3)2	121.7937	1.840	3	121.7937	3.387	3	121.7937	3.387	3	121.7937	3.387	3	114.1413	12.330	22	114.1413	12.330	22
490	490	892	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	3:4:1:1:	4:1:1:1:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C-4:H-1:O-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]HO)(NH3)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(H)(O)	N(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CC[6a]HO)(NH3)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(H)(O)	N(CC[6a]CH)(H)3	108.6440	0.700	6	108.6440	0.490	6	108.6440	0.490	6	108.6440	0.490	6	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	3:4:1:1:	4:4:1:1:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]HH)(NCHH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	N(CC[6a]CH)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(NCHH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	N(CC[6a]CH)(CC[6a]HH)(H)2	106.2790	0.000	1	106.2790	0.000	1	107.8650	3.537	4	107.8650	3.537	4	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	3:4:1:1:	4:4:1:1:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]HH)(NCHH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	N(CC[6a]CH)2(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(NCHH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	N(CC[6a]CH)2(H)2	108.3937	1.905	3	108.3937	3.628	3	107.8650	3.537	4	107.8650	3.537	4	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	3:4:2:1:	4:1:1:1:	C[6]-3:C-4:N-4:H-1:	C[6]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2)(CC[6]HO)(NH3)(H)	C(C[6]C[6]2)(CC[6]HN)(OH)(H)	N(CC[6]CH)(H)3	C(C[6]C[6]2)(CC[6]HO)(NH3)(H)	C(C[6]C[6]2)(CC[6]HN)(OH)(H)	N(CC[6]CH)(H)3	110.1970	0.325	2	110.1970	0.106	2	110.1970	0.106	2	108.4561	1.002	49	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	3:4:2:1:	4:1:1:1:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]HO)(NH3)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	N(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CC[6a]HO)(NH3)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	N(CC[6a]CH)(H)3	108.3820	0.952	47	108.3820	0.905	47	108.3820	0.905	47	108.4561	1.002	49	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	3:4:3:1:	4:1:1:1:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(NH3)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NHH)(H)	N(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CC[6a]HN)(NH3)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NHH)(H)	N(CC[6a]CH)(H)3	109.8075	1.258	4	109.8075	1.581	4	109.8075	1.581	4	109.8075	1.581	4	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	3:4:3:1:	4:4:1:1:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(NCHH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	N(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CC[6a]HN)(NCHH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	N(CC[6a]CH)(CH3)(H)2	106.6560	0.000	1	106.6560	0.000	1	106.6560	0.000	1	106.6560	0.000	1	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	3:4:4:1:	4:1:1:1:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(NH3)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CCHH)(H)	N(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CC[6a]CH)(NH3)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CCHH)(H)	N(CC[6a]CH)(H)3	111.1240	1.036	4	111.1240	1.074	4	111.1240	1.074	4	110.0326	2.937	33	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	3:4:4:1:	4:1:1:1:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	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)	N(CC[6a]CH)(H)3	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)	N(CC[6a]CH)(H)3	110.8880	0.664	3	110.8880	0.441	3	109.8821	3.048	29	110.0326	2.937	33	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	3:4:4:1:	4:1:1:1:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(NH3)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NH3)(H)	N(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CC[6a]HN)(NH3)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NH3)(H)	N(CC[6a]CH)(H)3	109.7660	1.801	26	109.7660	3.243	26	109.8821	3.048	29	110.0326	2.937	33	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:1:1:1:	C-3:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]F)(CH3)(NH3)(H)	C(CCHN)(H)3	N(CCCH)(H)3	C(CC[5]F)(CH3)(NH3)(H)	C(CCHN)(H)3	N(CCCH)(H)3	108.7740	0.000	1	108.7740	0.000	1	109.5287	0.427	3	108.8623	1.010	265	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:1:1:1:	C-3:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]O)(CH3)(NH3)(H)	C(CCHN)(H)3	N(CCCH)(H)3	C(CN[5]O)(CH3)(NH3)(H)	C(CCHN)(H)3	N(CCCH)(H)3	109.9060	0.007	2	109.9060	0.000	2	109.5287	0.427	3	108.8623	1.010	265	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-3:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2)(CH3)(NH3)(H)	C(CC[6]HN)(H)3	N(CC[6]CH)(H)3	C(C[6]C[6]2)(CH3)(NH3)(H)	C(CC[6]HN)(H)3	N(CC[6]CH)(H)3	108.5640	0.000	1	108.5640	0.000	1	108.5640	0.000	1	108.8623	1.010	265	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a,6a]C[6a])(CH3)(NH3)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(H)3	C(C[6a]C[6a,6a]C[6a])(CH3)(NH3)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(H)3	108.9276	0.450	9	108.9276	0.202	9	108.8558	1.017	261	108.8623	1.010	265	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CH3)(NH3)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CH3)(NH3)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(H)3	108.8532	1.023	252	108.8532	1.047	252	108.8558	1.017	261	108.8623	1.010	265	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:2:1:1:	C-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]O)(NHHO)(CH3)(H)	C(CCHN)(H)3	N(CCCH)(OH)(H)2	C(CC[6a]O)(NHHO)(CH3)(H)	C(CCHN)(H)3	N(CCCH)(OH)(H)2	109.9040	0.000	1	109.9040	0.000	1	109.9040	0.000	1	109.9040	0.000	1	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:1:1:	C-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]C)(NCHH)(CH3)(H)	C(CCHN)(H)3	N(CC[6a]HH)(CCCH)(H)2	C(CC[6a]C)(NCHH)(CH3)(H)	C(CCHN)(H)3	N(CC[6a]HH)(CCCH)(H)2	108.0310	0.000	1	108.0310	0.000	1	110.3523	1.338	23	109.2095	2.044	49	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:1:1:	C-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]O)(NCHH)(CH3)(H)	C(CCHN)(H)3	N(CCCH)(CC3)(H)2	C(CC[6a]O)(NCHH)(CH3)(H)	C(CCHN)(H)3	N(CCCH)(CC3)(H)2	109.9005	3.833	2	109.9005	14.694	2	110.3523	1.338	23	109.2095	2.044	49	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:1:1:	C-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]O)(NCHH)(CH3)(H)	C(CCHN)(H)3	N(CCCH)(CCHH)(H)2	C(CC[6a]O)(NCHH)(CH3)(H)	C(CCHN)(H)3	N(CCCH)(CCHH)(H)2	109.3365	0.448	2	109.3365	0.200	2	110.3523	1.338	23	109.2095	2.044	49	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:1:1:	C-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]O)(NCHH)(CH3)(H)	C(CCHN)(H)3	N(CCCH)(CH3)(H)2	C(CC[6a]O)(NCHH)(CH3)(H)	C(CCHN)(H)3	N(CCCH)(CH3)(H)2	110.8584	0.236	14	110.8584	0.056	14	110.3523	1.338	23	109.2095	2.044	49	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:1:1:	C-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]O)(NCHH)(CH3)(H)	C(CCHN)(H)3	N(CCCH)2(H)2	C(CN[5]O)(NCHH)(CH3)(H)	C(CCHN)(H)3	N(CCCH)2(H)2	109.5640	0.324	3	109.5640	0.105	3	110.3523	1.338	23	109.2095	2.044	49	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:1:1:	C-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[6]O)(NCHH)(CH3)(H)	C(CCHN)(H)3	N(CCCH)2(H)2	C(CN[6]O)(NCHH)(CH3)(H)	C(CCHN)(H)3	N(CCCH)2(H)2	110.8880	0.000	1	110.8880	0.000	1	110.3523	1.338	23	109.2095	2.044	49	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:1:1:	C[6a]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:B-4:H-1:H-1:	C(C[6a]C[6a]2)(NBHH)(CH3)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(BC[6a]3)(H)2	C(C[6a]C[6a]2)(NBHH)(CH3)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(BC[6a]3)(H)2	108.7270	0.000	1	108.7270	0.000	1	108.7270	0.000	1	109.2095	2.044	49	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:1:1:	C[6a]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a,6a]C[6a])(NCHH)(CH3)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a,6a]C[6a])(NCHH)(CH3)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CCHH)(H)2	108.3595	0.115	2	108.3595	0.013	2	108.2621	0.395	15	109.2095	2.044	49	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:1:1:	C[6a]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	C(CC[6a]HN)(H)3	N(CC[6,6]HH)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	C(CC[6a]HN)(H)3	N(CC[6,6]HH)(CC[6a]CH)(H)2	107.6740	0.000	1	107.6740	0.000	1	108.2621	0.395	15	109.2095	2.044	49	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:1:1:	C[6a]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[6a]HH)(H)2	107.4090	0.000	1	107.4090	0.000	1	108.2621	0.395	15	109.2095	2.044	49	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:1:1:	C[6a]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CH3)(H)2	109.2070	0.000	1	109.2070	0.000	1	108.2621	0.395	15	109.2095	2.044	49	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:1:1:	C[6a]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)2(H)2	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)2(H)2	108.3828	0.589	9	108.3828	0.347	9	108.2621	0.395	15	109.2095	2.044	49	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:1:1:	C[6a]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	C(CC[6a]HN)(H)3	N(CC[6a]PtH)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	C(CC[6a]HN)(H)3	N(CC[6a]PtH)(CC[6a]CH)(H)2	107.4780	0.000	1	107.4780	0.000	1	108.2621	0.395	15	109.2095	2.044	49	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:1:1:	C[6a]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NC[5]HH)(CH3)(H)	C(CC[6a]HN)(H)3	N(C[5]C[5]2H)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(NC[5]HH)(CH3)(H)	C(CC[6a]HN)(H)3	N(C[5]C[5]2H)(CC[6a]CH)(H)2	107.8445	0.817	4	107.8445	0.668	4	107.8445	0.668	4	109.2095	2.044	49	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:1:1:	C[6a]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C(C[6a]C[6a,6a]C[6a])(NC[6]HH)(CH3)(H)	C(CC[6a]HN)(H)3	N(C[6]C[6,6a]C[6]H)(CC[6a]CH)(H)2	C(C[6a]C[6a,6a]C[6a])(NC[6]HH)(CH3)(H)	C(CC[6a]HN)(H)3	N(C[6]C[6,6a]C[6]H)(CC[6a]CH)(H)2	108.8510	1.464	2	108.8510	2.142	2	108.1880	0.747	6	109.2095	2.044	49	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:1:1:	C[6a]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NC[6]HH)(CH3)(H)	C(CC[6a]HN)(H)3	N(C[6]C[6]2H)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(NC[6]HH)(CH3)(H)	C(CC[6a]HN)(H)3	N(C[6]C[6]2H)(CC[6a]CH)(H)2	107.8565	0.301	4	107.8565	0.091	4	108.1880	0.747	6	109.2095	2.044	49	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:4:1:	C[6a]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCCH)(CH3)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CCCH)(CCHH)(H)	C(C[6a]C[6a]2)(NCCH)(CH3)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CCCH)(CCHH)(H)	110.9600	0.000	1	110.9600	0.000	1	110.2910	0.895	2	112.3797	3.767	6	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:4:1:	C[6a]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(NCCH)(CH3)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[6a]HH)(CC[3]HH)(H)	C(C[6a]C[6a]2)(NCCH)(CH3)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[6a]HH)(CC[3]HH)(H)	109.6220	0.000	1	109.6220	0.000	1	110.2910	0.895	2	112.3797	3.767	6	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:4:1:	C[6a]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:P-4:H-1:	C(C[6a]C[6a]2)(NCHP)(CH3)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)2(PPdOO)(H)	C(C[6a]C[6a]2)(NCHP)(CH3)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)2(PPdOO)(H)	113.4240	1.272	4	113.4240	1.618	4	113.4240	1.618	4	112.3797	3.767	6	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:4:4:	C[6a]-3:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(NC3)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CH3)3	C(C[6a]C[6a,6a]C[6a])(CH3)(NC3)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CH3)3	112.2255	1.310	2	112.2255	1.717	2	111.8128	1.961	6	111.8128	1.961	6	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:4:4:	C[6a]-3:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(CH3)(NC3)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CH3)3	C(C[6a]C[6a]2)(CH3)(NC3)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CH3)3	111.0830	1.464	3	111.0830	2.144	3	111.8128	1.961	6	111.8128	1.961	6	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:1:1:1:	4:4:4:4:	C[6a]-3:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(CH3)(NC3)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)2(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(CH3)(NC3)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)2(CC[6a]HH)(CH3)	113.1770	0.000	1	113.1770	0.000	1	111.8128	1.961	6	111.8128	1.961	6	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:2:1:1:	4:1:1:1:	C[6a]-3:C-4:N-4:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CHHO)(NH3)(H)	C(CC[6a]HN)(OH)(H)2	N(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CHHO)(NH3)(H)	C(CC[6a]HN)(OH)(H)2	N(CC[6a]CH)(H)3	107.3450	0.000	1	107.3450	0.000	1	107.3450	0.000	1	107.3450	0.000	1	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:2:1:1:	4:4:1:1:	C-3:C-4:N-4:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]O)(CHHO)(NCHH)(H)	C(CCHN)(OC)(H)2	N(CCCH)(CH3)(H)2	C(CC[6a]O)(CHHO)(NCHH)(H)	C(CCHN)(OC)(H)2	N(CCCH)(CH3)(H)2	112.8000	0.000	1	112.8000	0.000	1	112.8000	0.000	1	108.8580	7.282	4	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:2:1:1:	4:4:1:1:	C[6a]-3:C-4:N-4:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CHHO)(NCHH)(H)	C(CC[6a]HN)(OH)(H)2	N(CC[6a]CH)2(H)2	C(C[6a]C[6a]2)(CHHO)(NCHH)(H)	C(CC[6a]HN)(OH)(H)2	N(CC[6a]CH)2(H)2	107.5440	0.750	3	107.5440	0.563	3	107.5440	0.563	3	108.8580	7.282	4	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:2:1:1:	4:4:4:4:	C[6a]-3:C-4:N-4:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(CHHO)(NC3)(H)	C(CC[6a]HN)(OH)(H)2	N(CC[6a]CH)2(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(CHHO)(NC3)(H)	C(CC[6a]HN)(OH)(H)2	N(CC[6a]CH)2(CC[6a]HH)(CH3)	115.4930	0.000	1	115.4930	0.000	1	115.4930	0.000	1	115.4930	0.000	1	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:2:4:1:	4:4:1:1:	C[6a]-3:C-4:N-4:H-1:	C-4:S-2:C-4:H-1:	C-4:S-4:H-1:H-1:	C(C[6a]C[6a]2)(CCHS)(NHHS)(H)	C(CC[6a]HN)(SC[6a])(CH3)(H)	N(CC[6a]CH)(SC[6a]OO)(H)2	C(C[6a]C[6a]2)(CCHS)(NHHS)(H)	C(CC[6a]HN)(SC[6a])(CH3)(H)	N(CC[6a]CH)(SC[6a]OO)(H)2	109.8370	0.000	1	109.8370	0.000	1	109.8370	0.000	1	109.8370	0.000	1	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:3:1:1:	4:1:1:1:	C[6a]-3:C-4:N-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(NH3)(H)	C(CC[6a]HN)(CCH)(H)2	N(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CCHH)(NH3)(H)	C(CC[6a]HN)(CCH)(H)2	N(CC[6a]CH)(H)3	108.6410	0.000	1	108.6410	0.000	1	109.4368	2.107	8	109.4368	2.107	8	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:3:1:1:	4:1:1:1:	C[6a]-3:C-4:N-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(NH3)(H)	C(CC[6a]HN)(COO)(H)2	N(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CCHH)(NH3)(H)	C(CC[6a]HN)(COO)(H)2	N(CC[6a]CH)(H)3	109.5504	1.529	7	109.5504	2.337	7	109.4368	2.107	8	109.4368	2.107	8	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:3:1:1:	4:4:1:1:	C[6a]-3:C-4:N-4:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(NCHH)(H)	C(CC[6a]HN)(COO)(H)2	N(CC[6a]CH)2(H)2	C(C[6a]C[6a]2)(CCHH)(NCHH)(H)	C(CC[6a]HN)(COO)(H)2	N(CC[6a]CH)2(H)2	108.7730	0.000	1	108.7730	0.000	1	108.7730	0.000	1	108.7730	0.000	1	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:3:2:1:	4:4:1:1:	C[6a]-3:C-4:N-4:H-1:	C-4:C-3:S-2:H-1:	C-4:S-4:H-1:H-1:	C(C[6a]C[6a]2)(CCHS)(NHHS)(H)	C(CC[6a]HN)(CC[6a]O)(SC[6a])(H)	N(CC[6a]CH)(SC[6a]OO)(H)2	C(C[6a]C[6a]2)(CCHS)(NHHS)(H)	C(CC[6a]HN)(CC[6a]O)(SC[6a])(H)	N(CC[6a]CH)(SC[6a]OO)(H)2	105.3200	0.000	1	105.3200	0.000	1	105.3200	0.000	1	105.3200	0.000	1	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[6a]-3:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(NCHH)(H)	C(CC[6a]HN)(CCHH)(H)2	N(CC[6a]CH)2(H)2	C(C[6a]C[6a]2)(CCHH)(NCHH)(H)	C(CC[6a]HN)(CCHH)(H)2	N(CC[6a]CH)2(H)2	110.2780	0.000	1	110.2780	0.000	1	109.7335	0.593	2	109.7335	0.593	2	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[6a]-3:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(NCHH)(H)	C(CC[6a]HN)(CH3)(H)2	N(CC[6a]CH)2(H)2	C(C[6a]C[6a]2)(CCHH)(NCHH)(H)	C(CC[6a]HN)(CH3)(H)2	N(CC[6a]CH)2(H)2	109.1890	0.000	1	109.1890	0.000	1	109.7335	0.593	2	109.7335	0.593	2	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:4:3:1:	4:4:1:1:	C[5a]-3:C-4:N-4:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(C[5a]N[5a]2)(CCCH)(NCHH)(H)	C(CC[5a]HN)(CH3)(CCH)(H)	N(CC[5a]CH)(CCHH)(H)2	C(C[5a]N[5a]2)(CCCH)(NCHH)(H)	C(CC[5a]HN)(CH3)(CCH)(H)	N(CC[5a]CH)(CCHH)(H)2	108.3840	1.194	2	108.3840	1.425	2	108.3840	1.425	2	108.3840	1.425	2	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:4:3:2:	3:4:1:1:	C[6a]-3:N-4:C-4:H-1:	C-4:C-4:C-3:O-2:	C[6a]-3:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NC[6a]HH)(CCCO)(H)	C(CC[6a]HN)(CH3)(COO)(OC)	N(C[6a]C[6a]2)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(NC[6a]HH)(CCCO)(H)	C(CC[6a]HN)(CH3)(COO)(OC)	N(C[6a]C[6a]2)(CC[6a]CH)(H)2	108.0440	0.000	1	108.0440	0.000	1	108.0440	0.000	1	108.0440	0.000	1	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:4:4:1:	4:1:1:1:	C[6a]-3:C-4:N-4:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCCH)(NH3)(H)	C(CC[6a]HN)(CH3)2(H)	N(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CCCH)(NH3)(H)	C(CC[6a]HN)(CH3)2(H)	N(CC[6a]CH)(H)3	109.2940	0.000	1	109.2940	0.000	1	110.4400	0.987	3	110.4400	0.987	3	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:4:4:1:	4:1:1:1:	C[6a]-3:C-4:N-4:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]N[6a])(CCCH)(NH3)(H)	C(CC[6a]HH)2(CC[6a]HN)(H)	N(CC[6a]CH)(H)3	C(C[6a]C[6a]N[6a])(CCCH)(NH3)(H)	C(CC[6a]HH)2(CC[6a]HN)(H)	N(CC[6a]CH)(H)3	111.0130	0.057	2	111.0130	0.003	2	110.4400	0.987	3	110.4400	0.987	3	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	3:4:4:1:	4:4:4:1:	4:4:1:1:	C[6a]-3:C-4:N-4:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CCCH)(NCHH)(H)	C(CC[6a]HN)(CH3)2(H)	N(CC[6a]CH)2(H)2	C(C[6a]C[6a]2)(CCCH)(NCHH)(H)	C(CC[6a]HN)(CH3)2(H)	N(CC[6a]CH)2(H)2	109.5083	0.870	3	109.5083	0.758	3	109.5083	0.758	3	109.5083	0.758	3	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	3:4:4:3:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:N-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CH3)(NH3)(COO)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CH3)(NH3)(COO)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(H)3	107.3360	0.000	1	107.3360	0.000	1	107.3360	0.000	1	107.3360	0.000	1	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	3:4:4:3:	4:1:1:1:	4:4:1:1:	C[6a]-3:N-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(NCHH)(CH3)(CCH)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(CH3)(H)2	C(C[6a]C[6a]2)(NCHH)(CH3)(CCH)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(CH3)(H)2	109.5090	0.000	1	109.5090	0.000	1	109.5090	0.000	1	109.5090	0.000	1	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:N-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]N)(CH3)2(NH3)	C(CCCN)(H)3	N(CC3)(H)3	C(CC[6a]N)(CH3)2(NH3)	C(CCCN)(H)3	N(CC3)(H)3	106.9942	1.284	4	106.9942	1.650	4	106.9942	1.650	4	106.7204	1.612	5	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:N-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCCH)(CH3)(NH3)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CCCH)(CH3)(NH3)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(H)3	105.6250	0.000	1	105.6250	0.000	1	105.6250	0.000	1	106.7204	1.612	5	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	3:4:4:4:	4:1:1:1:	4:4:1:1:	C-3:N-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]C)(NCHH)(CH3)2	C(CCCN)(H)3	N(CC3)2(H)2	C(CC[6a]C)(NCHH)(CH3)2	C(CCCN)(H)3	N(CC3)2(H)2	106.5130	5.646	2	106.5130	31.872	2	106.6270	9.615	6	106.5126	7.150	8	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	3:4:4:4:	4:1:1:1:	4:4:1:1:	C-3:N-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]C)(NCHH)(CH3)2	C(CCCN)(H)3	N(CCHH)(CC3)(H)2	C(CC[6a]C)(NCHH)(CH3)2	C(CCCN)(H)3	N(CCHH)(CC3)(H)2	106.6840	2.321	4	106.6840	5.388	4	106.6270	9.615	6	106.5126	7.150	8	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	3:4:4:4:	4:1:1:1:	4:4:1:1:	C[6a]-3:N-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:S-4:H-1:H-1:	C(C[6a]C[6,6a]C[6a])(NHHS)(CH3)2	C(CC[6a]CN)(H)3	N(CC[6a]CC)(SC[6a]OO)(H)2	C(C[6a]C[6,6a]C[6a])(NHHS)(CH3)2	C(CC[6a]CN)(H)3	N(CC[6a]CC)(SC[6a]OO)(H)2	106.1695	1.290	2	106.1695	1.665	2	106.1695	1.665	2	106.5126	7.150	8	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	3:4:4:4:	4:4:3:1:	4:1:1:1:	C[6a]-3:C-4:C-4:N-4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCCH)(CH3)(NH3)	C(CC[6a]CN)(CC[6a]HO)(CCH)(H)	N(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CCCH)(CH3)(NH3)	C(CC[6a]CN)(CC[6a]HO)(CCH)(H)	N(CC[6a]CC)(H)3	109.5040	0.000	1	109.5040	0.000	1	109.5040	0.000	1	109.5040	0.000	1	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:3:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-3:N-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CN[5]O)(NH3)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(H)3	C(CC[6a]HH)(CN[5]O)(NH3)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(H)3	107.7970	0.000	1	107.7970	0.000	1	107.7970	0.000	1	107.7970	0.000	1	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	2:4:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(NH3)(H)2	C(OC[6a])(CHHN)(H)2	N(CCHH)(H)3	C(CHHO)(NH3)(H)2	C(OC[6a])(CHHN)(H)2	N(CCHH)(H)3	110.5801	2.041	8	110.5801	4.167	8	110.5801	4.167	8	110.2299	3.361	11	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	2:4:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)(NH3)(H)2	C(SC[5a])(CHHN)(H)2	N(CCHH)(H)3	C(CHHS)(NH3)(H)2	C(SC[5a])(CHHN)(H)2	N(CCHH)(H)3	109.2960	0.648	3	109.2960	0.420	3	109.2960	0.420	3	110.2299	3.361	11	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	2:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CHHO)(NCHH)(H)2	C(OC[6a])(CHHN)(H)2	N(CCCH)(CCHH)(H)2	C(CHHO)(NCHH)(H)2	C(OC[6a])(CHHN)(H)2	N(CCCH)(CCHH)(H)2	110.7750	1.498	8	110.7750	2.244	8	110.7750	2.244	8	110.7750	2.244	8	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	2:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHO)(NCCH)(H)2	C(OC[6a])(CHHN)(H)2	N(CCHH)3(H)	C(CHHO)(NCCH)(H)2	C(OC[6a])(CHHN)(H)2	N(CCHH)3(H)	111.3924	2.558	110	111.3924	6.543	110	111.3924	6.543	110	111.4215	6.401	113	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	2:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHS)(NCCH)(H)2	C(SC[6a])(CHHN)(H)2	N(CCHH)3(H)	C(CHHS)(NCCH)(H)2	C(SC[6a])(CHHN)(H)2	N(CCHH)3(H)	112.4863	0.334	3	112.4863	0.112	3	112.4863	0.112	3	111.4215	6.401	113	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	2:4:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CHHO)(NC3)(H)2	C(OC[6a])(CHHN)(H)2	N(CCHH)(CH3)3	C(CHHO)(NC3)(H)2	C(OC[6a])(CHHN)(H)2	N(CCHH)(CH3)3	114.5875	0.695	2	114.5875	0.483	2	115.6637	1.782	4	115.6637	1.782	4	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	2:4:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CHHO)(NC3)(H)2	C(OP[4])(CHHN)(H)2	N(CCHH)(CH3)3	C(CHHO)(NC3)(H)2	C(OP[4])(CHHN)(H)2	N(CCHH)(CH3)3	116.7400	0.478	2	116.7400	0.228	2	115.6637	1.782	4	115.6637	1.782	4	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:3:4:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C[6a]-3:C-3:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CC[6a]CH)(NCCH)(H)2	C(C[6a]C[6a]2)(CN[5]O)(CHHN)(H)	N(CC[6a]HH)2(CCHH)(H)	C(CC[6a]CH)(NCCH)(H)2	C(C[6a]C[6a]2)(CN[5]O)(CHHN)(H)	N(CC[6a]HH)2(CCHH)(H)	115.4240	0.000	1	115.4240	0.000	1	115.4240	0.000	1	116.4425	2.075	2	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:3:4:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C[6a]-3:C[6]-3:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CC[6a]C[6]H)(NCCH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2)(CHHN)(H)	N(CCHH)(CH3)2(H)	C(CC[6a]C[6]H)(NCCH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2)(CHHN)(H)	N(CCHH)(CH3)2(H)	117.4610	0.000	1	117.4610	0.000	1	117.4610	0.000	1	116.4425	2.075	2	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:1:1:	3:4:1:1:	N-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(NC[6a]HH)(CHHN)(H)2	C(NC[6a]C)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(H)2	C(NC[6a]HH)(CHHN)(H)2	C(NC[6a]C)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(H)2	111.8580	0.000	1	111.8580	0.000	1	111.8580	0.000	1	111.8580	0.000	1	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(NH3)(H)2	C(C[5]C[5]N[5])(CHHN)(H)2	N(CCHH)(H)3	C(CC[5]HH)(NH3)(H)2	C(C[5]C[5]N[5])(CHHN)(H)2	N(CCHH)(H)3	110.6261	2.038	10	110.6261	4.151	10	110.6095	3.788	12	111.2989	2.249	195	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(NH3)(H)2	C(C[5]N[5]2)(CHHN)(H)2	N(CCHH)(H)3	C(CC[5]HH)(NH3)(H)2	C(C[5]N[5]2)(CHHN)(H)2	N(CCHH)(H)3	110.5265	2.070	2	110.5265	4.284	2	110.6095	3.788	12	111.2989	2.249	195	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]HH)(NH3)(H)2	C(C[5a]C[5a,6]C[5a])(CHHN)(H)2	N(CCHH)(H)3	C(CC[5a]HH)(NH3)(H)2	C(C[5a]C[5a,6]C[5a])(CHHN)(H)2	N(CCHH)(H)3	110.5160	0.000	1	110.5160	0.000	1	110.8756	0.726	18	111.2989	2.249	195	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]HH)(NH3)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(CCHH)(H)3	C(CC[5a]HH)(NH3)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(CCHH)(H)3	110.8693	0.895	16	110.8693	0.800	16	110.8756	0.726	18	111.2989	2.249	195	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]HH)(NH3)(H)2	C(C[5a]C[5a]N[5a])(CHHN)(H)2	N(CCHH)(H)3	C(CC[5a]HH)(NH3)(H)2	C(C[5a]C[5a]N[5a])(CHHN)(H)2	N(CCHH)(H)3	111.3360	0.000	1	111.3360	0.000	1	110.8756	0.726	18	111.2989	2.249	195	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(NH3)(H)2	C(C[6]C[6]2)(CHHN)(H)2	N(CCHH)(H)3	C(CC[6]HH)(NH3)(H)2	C(C[6]C[6]2)(CHHN)(H)2	N(CCHH)(H)3	111.0016	0.582	5	111.0016	0.339	5	111.0254	1.207	8	111.2989	2.249	195	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(NH3)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	N(CCHH)(H)3	C(CC[6]HH)(NH3)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	N(CCHH)(H)3	111.0650	1.882	3	111.0650	3.542	3	111.0254	1.207	8	111.2989	2.249	195	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(NH3)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CCHH)(H)3	C(CC[6a]HH)(NH3)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CCHH)(H)3	111.4738	1.533	125	111.4738	2.351	125	111.4738	2.351	125	111.2989	2.249	195	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(NH3)(H)2	C(NC[6a]H)(CHHN)(H)2	N(CCHH)(H)3	C(CHHN)(NH3)(H)2	C(NC[6a]H)(CHHN)(H)2	N(CCHH)(H)3	111.7738	0.775	5	111.7738	0.600	5	111.7738	0.600	5	111.2989	2.249	195	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]HH)(NH3)(H)2	C(N[5]C[5]2)(CHHN)(H)2	N(CCHH)(H)3	C(CN[5]HH)(NH3)(H)2	C(N[5]C[5]2)(CHHN)(H)2	N(CCHH)(H)3	111.3213	1.495	3	111.3213	2.234	3	111.3213	2.234	3	111.2989	2.249	195	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5a]HH)(NH3)(H)2	C(N[5a]C[5a]N[5a])(CHHN)(H)2	N(CCHH)(H)3	C(CN[5a]HH)(NH3)(H)2	C(N[5a]C[5a]N[5a])(CHHN)(H)2	N(CCHH)(H)3	112.2705	0.726	2	112.2705	0.527	2	112.2705	0.527	2	111.2989	2.249	195	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[6]HH)(NH3)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N(CCHH)(H)3	C(CN[6]HH)(NH3)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N(CCHH)(H)3	110.9278	1.627	22	110.9278	2.648	22	110.9278	2.648	22	111.2989	2.249	195	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(NCHH)(H)2	C(CC[6a]O)(CHHN)(H)2	N(CCCH)(CCHH)(H)2	C(CCHH)(NCHH)(H)2	C(CC[6a]O)(CHHN)(H)2	N(CCCH)(CCHH)(H)2	109.6960	0.650	3	109.6960	0.422	3	109.6960	0.422	3	111.0384	1.868	30	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5a]HH)(NCHH)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(CCHH)(CH3)(H)2	C(CC[5a]HH)(NCHH)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(CCHH)(CH3)(H)2	110.3760	0.000	1	110.3760	0.000	1	110.3760	0.000	1	111.0384	1.868	30	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(NCHH)(H)2	C(C[6]C[6]2)(CHHN)(H)2	N(CC[6a]HH)(CCHH)(H)2	C(CC[6]HH)(NCHH)(H)2	C(C[6]C[6]2)(CHHN)(H)2	N(CC[6a]HH)(CCHH)(H)2	110.5570	0.000	1	110.5570	0.000	1	110.7016	0.769	7	111.0384	1.868	30	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(NCHH)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	N(CCHH)2(H)2	C(CC[6]HH)(NCHH)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	N(CCHH)2(H)2	110.7257	0.958	6	110.7257	0.917	6	110.7016	0.769	7	111.0384	1.868	30	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(NCHH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CCHH)(CC3)(H)2	C(CC[6a]HH)(NCHH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CCHH)(CC3)(H)2	113.2280	0.115	2	113.2280	0.013	2	111.6937	1.820	10	111.0384	1.868	30	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(NCHH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CCHH)(CH3)(H)2	C(CC[6a]HH)(NCHH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CCHH)(CH3)(H)2	110.4615	0.122	2	110.4615	0.015	2	111.6937	1.820	10	111.0384	1.868	30	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(NCHH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CCHH)2(H)2	C(CC[6a]HH)(NCHH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CCHH)2(H)2	112.2470	0.000	1	112.2470	0.000	1	111.6937	1.820	10	111.0384	1.868	30	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(NCHH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CC[6]HH)(CCHH)(H)2	C(CC[6a]HH)(NCHH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CC[6]HH)(CCHH)(H)2	111.8853	1.763	3	111.8853	3.108	3	111.6937	1.820	10	111.0384	1.868	30	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(NCHH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CC[6a]HH)(CCHH)(H)2	C(CC[6a]HH)(NCHH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CC[6a]HH)(CCHH)(H)2	110.8275	0.688	2	110.8275	0.473	2	111.6937	1.820	10	111.0384	1.868	30	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CHHN)(NCHH)(H)2	C(NC[6a]H)(CHHN)(H)2	N(CCHH)2(H)2	C(CHHN)(NCHH)(H)2	C(NC[6a]H)(CHHN)(H)2	N(CCHH)2(H)2	109.9850	1.973	2	109.9850	3.892	2	109.9850	3.892	2	111.0384	1.868	30	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:B-4:H-1:H-1:	C(CN[5]HH)(NBHH)(H)2	C(N[5]C[5]2)(CHHN)(H)2	N(CCHH)(BH3)(H)2	C(CN[5]HH)(NBHH)(H)2	C(N[5]C[5]2)(CHHN)(H)2	N(CCHH)(BH3)(H)2	113.4320	0.000	1	113.4320	0.000	1	113.4320	0.000	1	111.0384	1.868	30	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]HH)(NCHH)(H)2	C(N[5]C[5,6]C[5])(CHHN)(H)2	N(CC[6a]HH)(CCHH)(H)2	C(CN[5]HH)(NCHH)(H)2	C(N[5]C[5,6]C[5])(CHHN)(H)2	N(CC[6a]HH)(CCHH)(H)2	111.0850	0.546	2	111.0850	0.298	2	111.5827	0.892	3	111.0384	1.868	30	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]HH)(NCHH)(H)2	C(N[5]C[5]2)(CHHN)(H)2	N(CCHH)(CC3)(H)2	C(CN[5]HH)(NCHH)(H)2	C(N[5]C[5]2)(CHHN)(H)2	N(CCHH)(CC3)(H)2	112.5780	0.000	1	112.5780	0.000	1	111.5827	0.892	3	111.0384	1.868	30	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5a]HH)(NCHH)(H)2	C(N[5a]C[5a]N[5a])(CHHN)(H)2	N(CCHH)2(H)2	C(CN[5a]HH)(NCHH)(H)2	C(N[5a]C[5a]N[5a])(CHHN)(H)2	N(CCHH)2(H)2	112.5970	0.000	1	112.5970	0.000	1	112.5970	0.000	1	111.0384	1.868	30	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	N[6,6]-3:C-4:H-1:H-1:	Ga-4:C-4:H-1:H-1:	C(CN[6,6]HH)(NGaHH)(H)2	C(N[6,6]C[6,6]2)(CHHN)(H)2	N(GaCl3)(CCHH)(H)2	C(CN[6,6]HH)(NGaHH)(H)2	C(N[6,6]C[6,6]2)(CHHN)(H)2	N(GaCl3)(CCHH)(H)2	109.6390	0.000	1	109.6390	0.000	1	109.6390	0.000	1	111.0384	1.868	30	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[6]HH)(NCHH)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N(CC[5a]HH)(CCHH)(H)2	C(CN[6]HH)(NCHH)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N(CC[5a]HH)(CCHH)(H)2	109.4530	0.000	1	109.4530	0.000	1	109.4530	0.000	1	111.0384	1.868	30	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCHH)(NCCH)(H)2	C(CC[5a]O)(CHHN)(H)2	N(CCHH)(CH3)2(H)	C(CCHH)(NCCH)(H)2	C(CC[5a]O)(CHHN)(H)2	N(CCHH)(CH3)2(H)	113.8120	0.000	1	113.8120	0.000	1	113.0079	1.555	7	113.1576	1.752	49	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCHH)(NCCH)(H)2	C(CC[6]H)(CHHN)(H)2	N(CCHH)(CH3)2(H)	C(CCHH)(NCCH)(H)2	C(CC[6]H)(CHHN)(H)2	N(CCHH)(CH3)2(H)	113.5420	0.426	2	113.5420	0.181	2	113.0079	1.555	7	113.1576	1.752	49	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCHH)(NCCH)(H)2	C(CC[6a]O)(CHHN)(H)2	N(CCHH)(CH3)2(H)	C(CCHH)(NCCH)(H)2	C(CC[6a]O)(CHHN)(H)2	N(CCHH)(CH3)2(H)	112.5397	1.534	4	112.5397	2.352	4	113.0079	1.555	7	113.1576	1.752	49	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CC[5a]HH)(NCCH)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(CCHH)(CH3)2(H)	C(CC[5a]HH)(NCCH)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(CCHH)(CH3)2(H)	113.1418	0.806	9	113.1418	0.649	9	113.4608	0.799	15	113.1576	1.752	49	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CC[5a]HH)(NCCH)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(CCHH)2(CH3)(H)	C(CC[5a]HH)(NCCH)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(CCHH)2(CH3)(H)	113.4860	1.178	2	113.4860	1.388	2	113.4608	0.799	15	113.1576	1.752	49	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CC[5a]HH)(NCCH)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(CCHH)3(H)	C(CC[5a]HH)(NCCH)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(CCHH)3(H)	114.1660	0.752	4	114.1660	0.565	4	113.4608	0.799	15	113.1576	1.752	49	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CC[6a]HH)(NCCH)(H)2	C(C[6a]C[5,6a]C[6a])(CHHN)(H)2	N(CCHH)3(H)	C(CC[6a]HH)(NCCH)(H)2	C(C[6a]C[5,6a]C[6a])(CHHN)(H)2	N(CCHH)3(H)	114.1480	0.000	1	114.1480	0.000	1	114.3713	2.992	3	113.1576	1.752	49	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CC[6a]HH)(NCCH)(H)2	C(C[6a]C[5,6a]C[6a])(CHHN)(H)2	N(CC[6]HH)(CCHH)(CH3)(H)	C(CC[6a]HH)(NCCH)(H)2	C(C[6a]C[5,6a]C[6a])(CHHN)(H)2	N(CC[6]HH)(CCHH)(CH3)(H)	116.2020	0.000	1	116.2020	0.000	1	114.3713	2.992	3	113.1576	1.752	49	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CC[6a]HH)(NCCH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CCHH)(CH3)2(H)	C(CC[6a]HH)(NCCH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CCHH)(CH3)2(H)	112.7640	0.000	1	112.7640	0.000	1	114.3713	2.992	3	113.1576	1.752	49	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHN)(NCCH)(H)2	C(NC[4]H)(CHHN)(H)2	N(CCHH)(CH3)2(H)	C(CHHN)(NCCH)(H)2	C(NC[4]H)(CHHN)(H)2	N(CCHH)(CH3)2(H)	114.0113	0.781	3	114.0113	0.609	3	112.8393	1.830	17	113.1576	1.752	49	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHN)(NCCH)(H)2	C(NC[4a]H)(CHHN)(H)2	N(CCHH)(CH3)2(H)	C(CHHN)(NCCH)(H)2	C(NC[4a]H)(CHHN)(H)2	N(CCHH)(CH3)2(H)	114.4180	0.000	1	114.4180	0.000	1	112.8393	1.830	17	113.1576	1.752	49	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHN)(NCCH)(H)2	C(NC[6]H)(CHHN)(H)2	N(CCHH)(CH3)2(H)	C(CHHN)(NCCH)(H)2	C(NC[6]H)(CHHN)(H)2	N(CCHH)(CH3)2(H)	113.9780	0.000	1	113.9780	0.000	1	112.8393	1.830	17	113.1576	1.752	49	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHN)(NCCH)(H)2	C(NC[6]H)(CHHN)(H)2	N(CCHH)3(H)	C(CHHN)(NCCH)(H)2	C(NC[6]H)(CHHN)(H)2	N(CCHH)3(H)	114.4205	0.078	2	114.4205	0.006	2	112.8393	1.830	17	113.1576	1.752	49	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHN)(NCCH)(H)2	C(NC[6a]C)(CHHN)(H)2	N(CCHH)(CH3)2(H)	C(CHHN)(NCCH)(H)2	C(NC[6a]C)(CHHN)(H)2	N(CCHH)(CH3)2(H)	111.8997	0.837	10	111.8997	0.701	10	112.8393	1.830	17	113.1576	1.752	49	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:B-4:C-4:H-1:	C(CN[5]HH)(NBCH)(H)2	C(N[5]C[5]2)(CHHN)(H)2	N(CCHH)(BH3)(CC3)(H)	C(CN[5]HH)(NBCH)(H)2	C(N[5]C[5]2)(CHHN)(H)2	N(CCHH)(BH3)(CC3)(H)	112.1680	0.000	1	112.1680	0.000	1	112.1680	0.000	1	113.1576	1.752	49	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CN[5]HH)(NCCH)(H)2	C(N[5]C[5]2)(CHHN)(H)2	N(CCHH)3(H)	C(CN[5]HH)(NCCH)(H)2	C(N[5]C[5]2)(CHHN)(H)2	N(CCHH)3(H)	114.7870	0.000	1	114.7870	0.000	1	114.7870	0.000	1	113.1576	1.752	49	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CN[5a]HH)(NCCH)(H)2	C(N[5a]C[5a,6a]N[5a])(CHHN)(H)2	N(CCHH)3(H)	C(CN[5a]HH)(NCCH)(H)2	C(N[5a]C[5a,6a]N[5a])(CHHN)(H)2	N(CCHH)3(H)	111.8630	0.000	1	111.8630	0.000	1	113.0610	2.870	2	113.1576	1.752	49	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CN[5a]HH)(NCCH)(H)2	C(N[5a]C[5a]N[5a])(CHHN)(H)2	N(CCHH)(CH3)2(H)	C(CN[5a]HH)(NCCH)(H)2	C(N[5a]C[5a]N[5a])(CHHN)(H)2	N(CCHH)(CH3)2(H)	114.2590	0.000	1	114.2590	0.000	1	113.0610	2.870	2	113.1576	1.752	49	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CN[6]HH)(NCCH)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N(CCHH)(CH3)2(H)	C(CN[6]HH)(NCCH)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N(CCHH)(CH3)2(H)	110.2210	0.000	1	110.2210	0.000	1	111.0705	1.443	2	113.1576	1.752	49	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CN[6]HH)(NCCH)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N(CCHH)3(H)	C(CN[6]HH)(NCCH)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N(CCHH)3(H)	111.9200	0.000	1	111.9200	0.000	1	111.0705	1.443	2	113.1576	1.752	49	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CN[6a]HH)(NCCH)(H)2	C(N[6a]C[6a]2)(CHHN)(H)2	N(CCHH)(CH3)2(H)	C(CN[6a]HH)(NCCH)(H)2	C(N[6a]C[6a]2)(CHHN)(H)2	N(CCHH)(CH3)2(H)	115.1540	0.000	1	115.1540	0.000	1	115.1540	0.000	1	113.1576	1.752	49	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CC[5a]HH)(NC3)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(CCHH)(CH3)3	C(CC[5a]HH)(NC3)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(CCHH)(CH3)3	114.9248	0.903	5	114.9248	0.816	5	114.6667	1.052	6	114.8782	0.993	11	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CC[5a]HH)(NC3)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(CCHH)2(CH3)2	C(CC[5a]HH)(NC3)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(CCHH)2(CH3)2	113.3760	0.000	1	113.3760	0.000	1	114.6667	1.052	6	114.8782	0.993	11	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CC[6a]HH)(NC3)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CCHH)(CH3)3	C(CC[6a]HH)(NC3)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CCHH)(CH3)3	114.8243	0.692	3	114.8243	0.479	3	114.8243	0.479	3	114.8782	0.993	11	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CHHN)(NC3)(H)2	C(NC[4a]H)(CHHN)(H)2	N(CCHH)(CH3)3	C(CHHN)(NC3)(H)2	C(NC[4a]H)(CHHN)(H)2	N(CCHH)(CH3)3	116.6920	0.000	1	116.6920	0.000	1	116.6920	0.000	1	114.8782	0.993	11	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CN[6a]HH)(NC3)(H)2	C(N[6a]C[6a,6a]C[6a])(CHHN)(H)2	N(CCHH)2(CH3)2	C(CN[6a]HH)(NC3)(H)2	C(N[6a]C[6a,6a]C[6a])(CHHN)(H)2	N(CCHH)2(CH3)2	114.4950	0.000	1	114.4950	0.000	1	114.4950	0.000	1	114.8782	0.993	11	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:2:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(NH3)(H)2	C(C[6a]C[6a]2)(CHHN)(OH)(H)	N(CCHH)(H)3	C(CC[6a]HO)(NH3)(H)2	C(C[6a]C[6a]2)(CHHN)(OH)(H)	N(CCHH)(H)3	111.3224	0.454	7	111.3224	0.206	7	111.3224	0.206	7	111.3224	0.206	7	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:2:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C[6]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HO)(NCHH)(H)2	C(C[6]C[6]2)(CHHN)(OH)(H)	N(CCHH)(CH3)(H)2	C(CC[6]HO)(NCHH)(H)2	C(C[6]C[6]2)(CHHN)(OH)(H)	N(CCHH)(CH3)(H)2	110.5410	0.000	1	110.5410	0.000	1	110.5410	0.000	1	111.2818	1.355	28	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:2:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HO)(NCHH)(H)2	C(C[6a]C[6a]2)(CHHN)(OC)(H)	N(CCHH)(CH3)(H)2	C(CC[6a]HO)(NCHH)(H)2	C(C[6a]C[6a]2)(CHHN)(OC)(H)	N(CCHH)(CH3)(H)2	112.4480	0.000	1	112.4480	0.000	1	111.3093	1.385	27	111.2818	1.355	28	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:2:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HO)(NCHH)(H)2	C(C[6a]C[6a]2)(CHHN)(OH)(H)	N(CCCH)(CCHH)(H)2	C(CC[6a]HO)(NCHH)(H)2	C(C[6a]C[6a]2)(CHHN)(OH)(H)	N(CCCH)(CCHH)(H)2	112.0300	0.615	7	112.0300	0.379	7	111.3093	1.385	27	111.2818	1.355	28	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:2:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HO)(NCHH)(H)2	C(C[6a]C[6a]2)(CHHN)(OH)(H)	N(CCHH)(CC3)(H)2	C(CC[6a]HO)(NCHH)(H)2	C(C[6a]C[6a]2)(CHHN)(OH)(H)	N(CCHH)(CC3)(H)2	111.0900	1.024	10	111.0900	1.048	10	111.3093	1.385	27	111.2818	1.355	28	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:2:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HO)(NCHH)(H)2	C(C[6a]C[6a]2)(CHHN)(OH)(H)	N(CCHH)(CH3)(H)2	C(CC[6a]HO)(NCHH)(H)2	C(C[6a]C[6a]2)(CHHN)(OH)(H)	N(CCHH)(CH3)(H)2	110.8658	1.463	9	110.8658	2.141	9	111.3093	1.385	27	111.2818	1.355	28	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:2:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-3:C-4:N-2:H-1:	C-4:C-4:C-4:H-1:	C(CCHN)(NCCH)(H)2	C(CN[5]O)(CHHN)(NC)(H)	N(CCHH)(CH3)2(H)	C(CCHN)(NCCH)(H)2	C(CN[5]O)(CHHN)(NC)(H)	N(CCHH)(CH3)2(H)	110.6760	0.000	1	110.6760	0.000	1	110.6760	0.000	1	110.6760	0.000	1	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:3:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HN)(NCHH)(H)2	C(C[6a]C[6a]2)(CHHN)(NHS)(H)	N(CC[6a]CH)(CCHH)(H)2	C(CC[6a]HN)(NCHH)(H)2	C(C[6a]C[6a]2)(CHHN)(NHS)(H)	N(CC[6a]CH)(CCHH)(H)2	113.5425	0.047	2	113.5425	0.002	2	113.5425	0.002	2	113.5425	0.002	2	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:3:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C(CCHN)(NCCH)(H)2	C(CN[5]O)(CHHN)(NCH)(H)	N(CCHH)(CH3)2(H)	C(CCHN)(NCCH)(H)2	C(CN[5]O)(CHHN)(NCH)(H)	N(CCHH)(CH3)2(H)	113.7800	0.000	1	113.7800	0.000	1	113.7800	0.000	1	113.7800	0.000	1	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:4:1:	3:4:1:1:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]CH)(NC[6a]HH)(H)2	C(C[6a]C[6a]2)(CCHN)(CHHN)(H)	N(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]CH)(NC[6a]HH)(H)2	C(C[6a]C[6a]2)(CCHN)(CHHN)(H)	N(C[6a]C[6a]2)(CCHH)(H)2	114.2620	0.000	1	114.2620	0.000	1	114.2620	0.000	1	114.2620	0.000	1	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:4:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(NH3)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	N(CCHH)(H)3	C(CC[6a]CH)(NH3)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	N(CCHH)(H)3	112.5040	0.999	19	112.5040	0.998	19	112.4620	0.904	22	112.4620	0.904	22	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:4:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(NH3)(H)2	C(C[6a]C[6a]2)(CSiHH)(CHHN)(H)	N(CCHH)(H)3	C(CC[6a]CH)(NH3)(H)2	C(C[6a]C[6a]2)(CSiHH)(CHHN)(H)	N(CCHH)(H)3	112.1957	0.621	3	112.1957	0.386	3	112.4620	0.904	22	112.4620	0.904	22	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:4:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CC[6a]C[6]H)(NCCH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2O)(CHHN)(H)	N(CCHH)(CH3)2(H)	C(CC[6a]C[6]H)(NCCH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2O)(CHHN)(H)	N(CCHH)(CH3)2(H)	114.1778	0.616	6	114.1778	0.379	6	114.1778	0.379	6	114.1778	0.379	6	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:4:2:	4:4:1:1:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C(CC[6a]CO)(NCHH)(H)2	C(C[6a]C[6a]2)(CBrFF)(CHHN)(OH)	N(CC[6a]HH)(CCHH)(H)2	C(CC[6a]CO)(NCHH)(H)2	C(C[6a]C[6a]2)(CBrFF)(CHHN)(OH)	N(CC[6a]HH)(CCHH)(H)2	111.6080	0.000	1	111.6080	0.000	1	111.6080	0.000	1	111.6080	0.000	1	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	3:4:4:4:	4:4:4:1:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:C-4:C-4:H-1:	C(CC[6a]CC)(NCCH)(H)2	C(C[6a]C[6a]2)(CCHH)(CCHO)(CHHN)	N(CCHH)2(CH3)(H)	C(CC[6a]CC)(NCCH)(H)2	C(C[6a]C[6a]2)(CCHH)(CCHO)(CHHN)	N(CCHH)2(CH3)(H)	119.6250	2.075	2	119.6250	4.304	2	119.6250	4.304	2	119.6250	4.304	2	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	3:4:1:1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(NC[6a]HH)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a]2)(CCHH)(H)2	C(NC[6a]HH)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a]2)(CCHH)(H)2	112.2005	2.017	2	112.2005	4.070	2	112.2005	4.070	2	112.2005	4.070	2	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	3:4:4:1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C(NC[6a]CH)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a]2)(CCHH)2(H)	C(NC[6a]CH)(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a]2)(CCHH)2(H)	111.3386	4.410	24	111.3386	19.451	24	111.3386	19.451	24	111.3386	19.451	24	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	3:4:4:4:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C(CH3)(NC3)(H)2	C(CHHN)(H)3	N(CC[6a]C)(CCHH)3	C(CH3)(NC3)(H)2	C(CHHN)(H)3	N(CC[6a]C)(CCHH)3	115.1267	1.006	3	115.1267	1.011	3	115.1267	1.011	3	113.9517	3.050	9	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	3:4:4:4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	B[5a]-3:C-4:C-4:C-4:	C(NB[5a]CC)(CH3)(H)2	C(CHHN)(H)3	N(B[5a]O[5a]2)(CCHH)3	C(NB[5a]CC)(CH3)(H)2	C(CHHN)(H)3	N(B[5a]O[5a]2)(CCHH)3	113.3642	1.798	6	113.3642	3.233	6	113.3642	3.233	6	113.9517	3.050	9	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CBrHH)(NH3)(H)2	C(CHHN)(Br)(H)2	N(CCHH)(H)3	C(CBrHH)(NH3)(H)2	C(CHHN)(Br)(H)2	N(CCHH)(H)3	111.6247	2.083	3	111.6247	4.341	3	111.6247	4.341	3	112.4389	21.853	125	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CClHH)(NH3)(H)2	C(CHHN)(Cl)(H)2	N(CCHH)(H)3	C(CClHH)(NH3)(H)2	C(CHHN)(Cl)(H)2	N(CCHH)(H)3	110.5150	0.000	1	110.5150	0.000	1	110.5150	0.000	1	112.4389	21.853	125	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:H-1:H-1:H-1:	C(CF3)(NH3)(H)2	C(CHHN)(F)3	N(CCHH)(H)3	C(CF3)(NH3)(H)2	C(CHHN)(F)3	N(CCHH)(H)3	112.9140	0.000	1	112.9140	0.000	1	112.9140	0.000	1	112.4389	21.853	125	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:F-1:F-1:H-1:	C-4:H-1:H-1:H-1:	C(CFFH)(NH3)(H)2	C(CHHN)(F)2(H)	N(CCHH)(H)3	C(CFFH)(NH3)(H)2	C(CHHN)(F)2(H)	N(CCHH)(H)3	112.2110	1.441	2	112.2110	2.077	2	112.2110	2.077	2	112.4389	21.853	125	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:F-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CFHH)(NH3)(H)2	C(CHHN)(F)(H)2	N(CCHH)(H)3	C(CFHH)(NH3)(H)2	C(CHHN)(F)(H)2	N(CCHH)(H)3	113.2036	3.458	10	113.2036	11.959	10	113.2036	11.959	10	112.4389	21.853	125	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)(NH3)(H)2	C(CHHN)(H)3	N(CCHH)(H)3	C(CH3)(NH3)(H)2	C(CHHN)(H)3	N(CCHH)(H)3	112.4671	4.992	104	112.4671	24.918	104	112.4671	24.918	104	112.4389	21.853	125	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:I-1:	C-4:H-1:H-1:H-1:	C(CHHI)(NH3)(H)2	C(CHHN)(H)2(I)	N(CCHH)(H)3	C(CHHI)(NH3)(H)2	C(CHHN)(H)2(I)	N(CCHH)(H)3	111.1890	0.758	2	111.1890	0.575	2	111.1890	0.575	2	112.4389	21.853	125	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:N-1:	C-4:H-1:H-1:H-1:	C(CHHN)(NH3)(H)2	C(CHHN)(H)2(N)	N(CCHH)(H)3	C(CHHN)(NH3)(H)2	C(CHHN)(H)2(N)	N(CCHH)(H)3	111.6530	0.000	1	111.6530	0.000	1	111.6530	0.000	1	112.4389	21.853	125	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:S-1:	C-4:H-1:H-1:H-1:	C(CHHS)(NH3)(H)2	C(CHHN)(H)2(S)	N(CCHH)(H)3	C(CHHS)(NH3)(H)2	C(CHHN)(H)2(S)	N(CCHH)(H)3	109.5010	0.000	1	109.5010	0.000	1	109.5010	0.000	1	112.4389	21.853	125	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CBrHH)(NCHH)(H)2	C(CHHN)(Br)(H)2	N(CCHH)(CH3)(H)2	C(CBrHH)(NCHH)(H)2	C(CHHN)(Br)(H)2	N(CCHH)(CH3)(H)2	113.0270	0.000	1	113.0270	0.000	1	111.0881	3.053	9	110.7307	6.286	189	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CBrHH)(NCHH)(H)2	C(CHHN)(Br)(H)2	N(CCHH)2(H)2	C(CBrHH)(NCHH)(H)2	C(CHHN)(Br)(H)2	N(CCHH)2(H)2	110.8457	1.698	8	110.8457	2.885	8	111.0881	3.053	9	110.7307	6.286	189	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CClHH)(NCHH)(H)2	C(CHHN)(Cl)(H)2	N(CC[6a]HH)(CCHH)(H)2	C(CClHH)(NCHH)(H)2	C(CHHN)(Cl)(H)2	N(CC[6a]HH)(CCHH)(H)2	110.2420	0.000	1	110.2420	0.000	1	110.2420	0.000	1	110.7307	6.286	189	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:1:1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	B-4:C-4:H-1:H-1:	C(NBHH)(CH3)(H)2	C(CHHN)(H)3	N(BHHN)(CCHH)(H)2	C(NBHH)(CH3)(H)2	C(CHHN)(H)3	N(BHHN)(CCHH)(H)2	114.4740	0.000	1	114.4740	0.000	1	114.4740	0.000	1	110.7307	6.286	189	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:1:1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C(NCHH)(CH3)(H)2	C(CHHN)(H)3	N(CCCH)(CCHH)(H)2	C(NCHH)(CH3)(H)2	C(CHHN)(H)3	N(CCCH)(CCHH)(H)2	110.6165	0.148	2	110.6165	0.022	2	110.6887	6.481	177	110.7307	6.286	189	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:1:1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C(NCHH)(CH3)(H)2	C(CHHN)(H)3	N(CCHH)(CC3)(H)2	C(NCHH)(CH3)(H)2	C(CHHN)(H)3	N(CCHH)(CC3)(H)2	110.8020	0.000	1	110.8020	0.000	1	110.6887	6.481	177	110.7307	6.286	189	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:1:1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C(NCHH)(CH3)(H)2	C(CHHN)(H)3	N(CCHH)2(H)2	C(NCHH)(CH3)(H)2	C(CHHN)(H)3	N(CCHH)2(H)2	110.6869	2.605	169	110.6869	6.785	169	110.6887	6.481	177	110.7307	6.286	189	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:1:1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C(NCHH)(CH3)(H)2	C(CHHN)(H)3	N(CC[5]HH)(CCHH)(H)2	C(NCHH)(CH3)(H)2	C(CHHN)(H)3	N(CC[5]HH)(CCHH)(H)2	110.9610	0.731	2	110.9610	0.535	2	110.6887	6.481	177	110.7307	6.286	189	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:1:1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C(NCHH)(CH3)(H)2	C(CHHN)(H)3	N(CC[6a]2H)(CCHH)(H)2	C(NCHH)(CH3)(H)2	C(CHHN)(H)3	N(CC[6a]2H)(CCHH)(H)2	110.4830	0.058	2	110.4830	0.003	2	110.6887	6.481	177	110.7307	6.286	189	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:1:1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C(NCHH)(CH3)(H)2	C(CHHN)(H)3	N(CC[6a]HH)(CCHH)(H)2	C(NCHH)(CH3)(H)2	C(CHHN)(H)3	N(CC[6a]HH)(CCHH)(H)2	110.8980	0.000	1	110.8980	0.000	1	110.6887	6.481	177	110.7307	6.286	189	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:1:1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C(NC[6]HH)(CH3)(H)2	C(CHHN)(H)3	N(C[6]C[5a,6]C[6]H)(CCHH)(H)2	C(NC[6]HH)(CH3)(H)2	C(CHHN)(H)3	N(C[6]C[5a,6]C[6]H)(CCHH)(H)2	111.6840	0.000	1	111.6840	0.000	1	111.6840	0.000	1	110.7307	6.286	189	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:2:1:	C-4:N-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	B-4:C-4:O-2:H-1:	C(CBrHH)(NBHO)(H)2	C(CHHN)(Br)(H)2	N(BCHH)(CCHH)(OC)(H)	C(CBrHH)(NBHO)(H)2	C(CHHN)(Br)(H)2	N(BCHH)(CCHH)(OC)(H)	115.7500	0.000	1	115.7500	0.000	1	115.7500	0.000	1	113.8744	2.245	7	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:2:1:	C-4:N-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	B-4:C-4:O-2:H-1:	C(CClHH)(NBHO)(H)2	C(CHHN)(Cl)(H)2	N(BCHH)(CCHH)(OC)(H)	C(CClHH)(NBHO)(H)2	C(CHHN)(Cl)(H)2	N(BCHH)(CCHH)(OC)(H)	115.0135	0.409	2	115.0135	0.168	2	115.0135	0.168	2	113.8744	2.245	7	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:2:1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C(NCHO)(CH3)(H)2	C(CHHN)(H)3	N(CCHH)2(OH)(H)	C(NCHO)(CH3)(H)2	C(CHHN)(H)3	N(CCHH)2(OH)(H)	112.8360	0.980	4	112.8360	0.959	4	112.8360	0.959	4	113.8744	2.245	7	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:3:1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C(NCCH)(CH3)(H)2	C(CHHN)(H)3	N(CCHH)2(CHH)(H)	C(NCCH)(CH3)(H)2	C(CHHN)(H)3	N(CCHH)2(CHH)(H)	119.8850	6.918	2	119.8850	47.863	2	114.8077	25.261	6	114.8077	25.261	6	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:3:1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C(NCCH)(CH3)(H)2	C(CHHN)(H)3	N(CCHH)2(CNO)(H)	C(NCCH)(CH3)(H)2	C(CHHN)(H)3	N(CCHH)2(CNO)(H)	112.2690	0.607	4	112.2690	0.368	4	114.8077	25.261	6	114.8077	25.261	6	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:3:3:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:C-3:	C(CH3)(NC3)(H)2	C(CHHN)(H)3	N(CCHH)2(CCH)2	C(CH3)(NC3)(H)2	C(CHHN)(H)3	N(CCHH)2(CCH)2	114.9840	6.067	2	114.9840	36.808	2	115.2507	18.617	3	115.2507	18.617	3	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:3:3:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:C-3:	C(CH3)(NC3)(H)2	C(CHHN)(H)3	N(CCHH)2(CHH)2	C(CH3)(NC3)(H)2	C(CHHN)(H)3	N(CCHH)2(CHH)2	115.7840	0.000	1	115.7840	0.000	1	115.2507	18.617	3	115.2507	18.617	3	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CClHH)(NCCH)(H)2	C(CHHN)(Cl)(H)2	N(CCCH)2(CCHH)(H)	C(CClHH)(NCCH)(H)2	C(CHHN)(Cl)(H)2	N(CCCH)2(CCHH)(H)	111.5140	0.000	1	111.5140	0.000	1	111.5140	0.000	1	113.5752	5.689	937	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:F-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CFHH)(NCCH)(H)2	C(CHHN)(F)(H)2	N(CCHH)(CH3)2(H)	C(CFHH)(NCCH)(H)2	C(CHHN)(F)(H)2	N(CCHH)(CH3)2(H)	114.0660	1.573	2	114.0660	2.473	2	114.0660	2.473	2	113.5752	5.689	937	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:O-1:	C-4:C-4:C-4:H-1:	C(CHHO)(NCCH)(H)2	C(CHHN)(H)2(O)	N(CCHH)3(H)	C(CHHO)(NCCH)(H)2	C(CHHN)(H)2(O)	N(CCHH)3(H)	111.7195	1.839	2	111.7195	3.383	2	111.7195	3.383	2	113.5752	5.689	937	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:S-1:	C-4:C-4:C-4:H-1:	C(CHHS)(NCCH)(H)2	C(CHHN)(H)2(S)	N(CCHH)3(H)	C(CHHS)(NCCH)(H)2	C(CHHN)(H)2(S)	N(CCHH)3(H)	110.0500	0.000	1	110.0500	0.000	1	110.0500	0.000	1	113.5752	5.689	937	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:4:1:	N-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:C-4:C-4:H-1:	C(NCCH)(CF3)(H)2	C(CHHN)(F)3	N(CCHH)3(H)	C(NCCH)(CF3)(H)2	C(CHHN)(F)3	N(CCHH)3(H)	114.1165	0.702	2	114.1165	0.493	2	114.1165	0.493	2	113.5752	5.689	937	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:4:1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:D-1:	C(NCCD)(CH3)(H)2	C(CHHN)(H)3	N(CCHH)2(CH3)(D)	C(NCCD)(CH3)(H)2	C(CHHN)(H)3	N(CCHH)2(CH3)(D)	114.0810	0.533	2	114.0810	0.284	2	114.0810	0.284	2	113.5752	5.689	937	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:4:1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C(NCCH)(CH3)(H)2	C(CHHN)(H)3	N(CCCH)(CCHH)2(H)	C(NCCH)(CH3)(H)2	C(CHHN)(H)3	N(CCCH)(CCHH)2(H)	113.0460	0.294	2	113.0460	0.087	2	113.5881	5.738	921	113.5752	5.689	937	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:4:1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C(NCCH)(CH3)(H)2	C(CHHN)(H)3	N(CCCH)2(CCHH)(H)	C(NCCH)(CH3)(H)2	C(CHHN)(H)3	N(CCCH)2(CCHH)(H)	113.3324	1.465	7	113.3324	2.146	7	113.5881	5.738	921	113.5752	5.689	937	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:4:1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C(NCCH)(CH3)(H)2	C(CHHN)(H)3	N(CCHH)(CH3)2(H)	C(NCCH)(CH3)(H)2	C(CHHN)(H)3	N(CCHH)(CH3)2(H)	112.8790	0.037	2	112.8790	0.001	2	113.5881	5.738	921	113.5752	5.689	937	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:4:1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C(NCCH)(CH3)(H)2	C(CHHN)(H)3	N(CCHH)2(CH3)(H)	C(NCCH)(CH3)(H)2	C(CHHN)(H)3	N(CCHH)2(CH3)(H)	113.5475	0.412	2	113.5475	0.170	2	113.5881	5.738	921	113.5752	5.689	937	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:4:1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C(NCCH)(CH3)(H)2	C(CHHN)(H)3	N(CCHH)2(CHHP)(H)	C(NCCH)(CH3)(H)2	C(CHHN)(H)3	N(CCHH)2(CHHP)(H)	112.9039	1.706	8	112.9039	2.909	8	113.5881	5.738	921	113.5752	5.689	937	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:4:1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C(NCCH)(CH3)(H)2	C(CHHN)(H)3	N(CCHH)3(H)	C(NCCH)(CH3)(H)2	C(CHHN)(H)3	N(CCHH)3(H)	113.5983	2.437	879	113.5983	5.940	879	113.5881	5.738	921	113.5752	5.689	937	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:4:1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C(NCCH)(CH3)(H)2	C(CHHN)(H)3	N(CC[5]HH)(CCHH)2(H)	C(NCCH)(CH3)(H)2	C(CHHN)(H)3	N(CC[5]HH)(CCHH)2(H)	113.6980	0.115	2	113.6980	0.013	2	113.5881	5.738	921	113.5752	5.689	937	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:4:1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C(NCCH)(CH3)(H)2	C(CHHN)(H)3	N(CC[6]HH)(CCHH)(CH3)(H)	C(NCCH)(CH3)(H)2	C(CHHN)(H)3	N(CC[6]HH)(CCHH)(CH3)(H)	114.2520	0.000	1	114.2520	0.000	1	113.5881	5.738	921	113.5752	5.689	937	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:4:1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C(NCCH)(CH3)(H)2	C(CHHN)(H)3	N(CC[6a]2H)(CCHH)2(H)	C(NCCH)(CH3)(H)2	C(CHHN)(H)3	N(CC[6a]2H)(CCHH)2(H)	113.2630	2.128	2	113.2630	4.530	2	113.5881	5.738	921	113.5752	5.689	937	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:4:1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C(NCCH)(CH3)(H)2	C(CHHN)(H)3	N(CC[6a]C[6]H)(CCHH)2(H)	C(NCCH)(CH3)(H)2	C(CHHN)(H)3	N(CC[6a]C[6]H)(CCHH)2(H)	114.0310	1.220	2	114.0310	1.490	2	113.5881	5.738	921	113.5752	5.689	937	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:4:1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C(NCCH)(CH3)(H)2	C(CHHN)(H)3	N(CC[6a]HH)(CCHH)2(H)	C(NCCH)(CH3)(H)2	C(CHHN)(H)3	N(CC[6a]HH)(CCHH)2(H)	113.5709	1.168	14	113.5709	1.364	14	113.5881	5.738	921	113.5752	5.689	937	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:4:1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C(NC[6]CH)(CH3)(H)2	C(CHHN)(H)3	N(C[6]B[5x3,5x5,21x6]C[6]H)(CCHH)2(H)	C(NC[6]CH)(CH3)(H)2	C(CHHN)(H)3	N(C[6]B[5x3,5x5,21x6]C[6]H)(CCHH)2(H)	111.0975	0.122	2	111.0975	0.015	2	111.0975	0.015	2	113.5752	5.689	937	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:4:1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	In-4:C-4:C-4:H-1:	C(NInCH)(CH3)(H)2	C(CHHN)(H)3	N(InCl2N)(CCHH)2(H)	C(NInCH)(CH3)(H)2	C(CHHN)(H)3	N(InCl2N)(CCHH)2(H)	113.4068	0.670	4	113.4068	0.450	4	113.4068	0.450	4	113.5752	5.689	937	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:4:2:	C-4:N-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:C-4:C-4:N-2:	C(CClHH)(NCCN)(H)2	C(CHHN)(Cl)(H)2	N(CCHH)(CH3)2(NH)	C(CClHH)(NCCN)(H)2	C(CHHN)(Cl)(H)2	N(CCHH)(CH3)2(NH)	115.6600	0.000	1	115.6600	0.000	1	115.6600	0.000	1	114.0404	3.603	9	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:4:2:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-2:	C(CH3)(NC3)(H)2	C(CHHN)(H)3	N(CCHH)3(CC)	C(CH3)(NC3)(H)2	C(CHHN)(H)3	N(CCHH)3(CC)	115.2587	0.341	3	115.2587	0.116	3	115.2587	0.116	3	114.0404	3.603	9	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:4:2:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-2:	C(NCCN)(CH3)(H)2	C(CHHN)(H)3	N(CCHH)(CH3)2(NTi)	C(NCCN)(CH3)(H)2	C(CHHN)(H)3	N(CCHH)(CH3)2(NTi)	111.9540	3.521	2	111.9540	12.400	2	111.9540	12.400	2	114.0404	3.603	9	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:4:2:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C(NCCO)(CH3)(H)2	C(CHHN)(H)3	N(CCHH)3(OH)	C(NCCO)(CH3)(H)2	C(CHHN)(H)3	N(CCHH)3(OH)	113.6733	0.049	3	113.6733	0.002	3	113.6733	0.002	3	114.0404	3.603	9	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:4:3:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C(CH3)(NC3)(H)2	C(CHHN)(H)3	N(CCHH)3(CCH)	C(CH3)(NC3)(H)2	C(CHHN)(H)3	N(CCHH)3(CCH)	114.7330	1.446	9	114.7330	2.090	9	113.8168	21.907	30	113.8281	19.969	33	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:4:3:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C(CH3)(NC3)(H)2	C(CHHN)(H)3	N(CCHH)3(CCN)	C(CH3)(NC3)(H)2	C(CHHN)(H)3	N(CCHH)3(CCN)	114.3107	0.382	3	114.3107	0.146	3	113.8168	21.907	30	113.8281	19.969	33	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:4:3:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C(CH3)(NC3)(H)2	C(CHHN)(H)3	N(CCHH)3(CHH)	C(CH3)(NC3)(H)2	C(CHHN)(H)3	N(CCHH)3(CHH)	113.2764	5.964	18	113.2764	35.574	18	113.8168	21.907	30	113.8281	19.969	33	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:4:3:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:B-3:	C(NBCC)(CH3)(H)2	C(CHHN)(H)3	N(CCHH)3(BCO)	C(NBCC)(CH3)(H)2	C(CHHN)(H)3	N(CCHH)3(BCO)	113.9403	1.351	3	113.9403	1.825	3	113.9403	1.825	3	113.8281	19.969	33	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CBrHH)(NC3)(H)2	C(CHHN)(Br)(H)2	N(CCCH)(CCHH)(CH3)2	C(CBrHH)(NC3)(H)2	C(CHHN)(Br)(H)2	N(CCCH)(CCHH)(CH3)2	121.1570	0.000	1	121.1570	0.000	1	115.7225	13.454	4	115.2396	2.706	3718	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CBrHH)(NC3)(H)2	C(CHHN)(Br)(H)2	N(CCHH)(CH3)3	C(CBrHH)(NC3)(H)2	C(CHHN)(Br)(H)2	N(CCHH)(CH3)3	113.9110	0.701	3	113.9110	0.492	3	115.7225	13.454	4	115.2396	2.706	3718	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CClHH)(NC3)(H)2	C(CHHN)(Cl)(H)2	N(CCCH)(CCHH)(CH3)2	C(CClHH)(NC3)(H)2	C(CHHN)(Cl)(H)2	N(CCCH)(CCHH)(CH3)2	113.5910	0.000	1	113.5910	0.000	1	114.6019	4.393	9	115.2396	2.706	3718	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CClHH)(NC3)(H)2	C(CHHN)(Cl)(H)2	N(CCHH)(CH3)3	C(CClHH)(NC3)(H)2	C(CHHN)(Cl)(H)2	N(CCHH)(CH3)3	114.7283	2.204	8	114.7283	4.857	8	114.6019	4.393	9	115.2396	2.706	3718	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:F-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CFHH)(NC3)(H)2	C(CHHN)(F)(H)2	N(CCCH)(CCHH)(CH3)2	C(CFHH)(NC3)(H)2	C(CHHN)(F)(H)2	N(CCCH)(CCHH)(CH3)2	115.8850	0.000	1	115.8850	0.000	1	115.8850	0.000	1	115.2396	2.706	3718	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CH3)(NC3)(H)2	C(CHHN)(H)3	N(CBrHH)(CCHH)3	C(CH3)(NC3)(H)2	C(CHHN)(H)3	N(CBrHH)(CCHH)3	116.6618	1.249	6	116.6618	1.560	6	115.2327	2.714	3662	115.2396	2.706	3718	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CH3)(NC3)(H)2	C(CHHN)(H)3	N(CCHH)(CH3)3	C(CH3)(NC3)(H)2	C(CHHN)(H)3	N(CCHH)(CH3)3	114.2678	2.973	4	114.2678	8.839	4	115.2327	2.714	3662	115.2396	2.706	3718	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CH3)(NC3)(H)2	C(CHHN)(H)3	N(CCHH)2(CH3)2	C(CH3)(NC3)(H)2	C(CHHN)(H)3	N(CCHH)2(CH3)2	116.8415	2.760	2	116.8415	7.617	2	115.2327	2.714	3662	115.2396	2.706	3718	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CH3)(NC3)(H)2	C(CHHN)(H)3	N(CCHH)3(CH3)	C(CH3)(NC3)(H)2	C(CHHN)(H)3	N(CCHH)3(CH3)	115.2886	1.551	24	115.2886	2.406	24	115.2327	2.714	3662	115.2396	2.706	3718	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CH3)(NC3)(H)2	C(CHHN)(H)3	N(CCHH)4	C(CH3)(NC3)(H)2	C(CHHN)(H)3	N(CCHH)4	115.2276	1.666	3490	115.2276	2.775	3490	115.2327	2.714	3662	115.2396	2.706	3718	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CH3)(NC3)(H)2	C(CHHN)(H)3	N(CC[5]HH)(CCHH)(CH3)2	C(CH3)(NC3)(H)2	C(CHHN)(H)3	N(CC[5]HH)(CCHH)(CH3)2	114.5760	0.000	1	114.5760	0.000	1	115.2327	2.714	3662	115.2396	2.706	3718	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CH3)(NC3)(H)2	C(CHHN)(H)3	N(CC[5a]HH)(CCHH)2(CH3)	C(CH3)(NC3)(H)2	C(CHHN)(H)3	N(CC[5a]HH)(CCHH)2(CH3)	115.1010	0.105	2	115.1010	0.011	2	115.2327	2.714	3662	115.2396	2.706	3718	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CH3)(NC3)(H)2	C(CHHN)(H)3	N(CC[6]HH)(CCHH)3	C(CH3)(NC3)(H)2	C(CHHN)(H)3	N(CC[6]HH)(CCHH)3	114.9039	0.814	12	114.9039	0.662	12	115.2327	2.714	3662	115.2396	2.706	3718	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CH3)(NC3)(H)2	C(CHHN)(H)3	N(CC[6a]HH)(CCHH)(CH3)2	C(CH3)(NC3)(H)2	C(CHHN)(H)3	N(CC[6a]HH)(CCHH)(CH3)2	115.4473	0.197	3	115.4473	0.039	3	115.2327	2.714	3662	115.2396	2.706	3718	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CH3)(NC3)(H)2	C(CHHN)(H)3	N(CC[6a]HH)(CCHH)2(CH3)	C(CH3)(NC3)(H)2	C(CHHN)(H)3	N(CC[6a]HH)(CCHH)2(CH3)	114.8413	0.917	4	114.8413	0.842	4	115.2327	2.714	3662	115.2396	2.706	3718	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CH3)(NC3)(H)2	C(CHHN)(H)3	N(CC[6a]HH)(CCHH)3	C(CH3)(NC3)(H)2	C(CHHN)(H)3	N(CC[6a]HH)(CCHH)3	115.3096	1.019	87	115.3096	1.037	87	115.2327	2.714	3662	115.2396	2.706	3718	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CH3)(NC3)(H)2	C(CHHN)(H)3	N(CC[6a]HH)2(CCHH)2	C(CH3)(NC3)(H)2	C(CHHN)(H)3	N(CC[6a]HH)2(CCHH)2	116.0793	0.359	6	116.0793	0.129	6	115.2327	2.714	3662	115.2396	2.706	3718	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CH3)(NC3)(H)2	C(CHHN)(H)3	N(CClHH)(CCHH)3	C(CH3)(NC3)(H)2	C(CHHN)(H)3	N(CClHH)(CCHH)3	115.3536	1.152	21	115.3536	1.328	21	115.2327	2.714	3662	115.2396	2.706	3718	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:4:4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	B-4:C-4:C-4:C-4:	C(NBCC)(CH3)(H)2	C(CHHN)(H)3	N(BC[5]HH)(CCHH)(CH3)2	C(NBCC)(CH3)(H)2	C(CHHN)(H)3	N(BC[5]HH)(CCHH)(CH3)2	116.2010	0.000	1	116.2010	0.000	1	115.9776	0.386	16	115.2396	2.706	3718	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:4:4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	B-4:C-4:C-4:C-4:	C(NBCC)(CH3)(H)2	C(CHHN)(H)3	N(BClHH)(CCHH)3	C(NBCC)(CH3)(H)2	C(CHHN)(H)3	N(BClHH)(CCHH)3	115.4983	0.234	3	115.4983	0.055	3	115.9776	0.386	16	115.2396	2.706	3718	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:4:4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	B-4:C-4:C-4:C-4:	C(NBCC)(CH3)(H)2	C(CHHN)(H)3	N(BHHN)(CCHH)3	C(NBCC)(CH3)(H)2	C(CHHN)(H)3	N(BHHN)(CCHH)3	116.0580	0.604	9	116.0580	0.365	9	115.9776	0.386	16	115.2396	2.706	3718	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:4:4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	B-4:C-4:C-4:C-4:	C(NBCC)(CH3)(H)2	C(CHHN)(H)3	N(BHHO)(CCHH)3	C(NBCC)(CH3)(H)2	C(CHHN)(H)3	N(BHHO)(CCHH)3	116.1410	0.971	3	116.1410	0.943	3	115.9776	0.386	16	115.2396	2.706	3718	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:4:4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	B[5a]-4:C-4:C-4:C-4:	C(NB[5a]CC)(CH3)(H)2	C(CHHN)(H)3	N(B[5a]O[5a]2Cl)(CCHH)3	C(NB[5a]CC)(CH3)(H)2	C(CHHN)(H)3	N(B[5a]O[5a]2Cl)(CCHH)3	116.2190	1.006	3	116.2190	1.013	3	116.2190	1.013	3	115.2396	2.706	3718	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:4:4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[4]-4:C-4:C-4:C-4:	C(NC[4]CC)(CH3)(H)2	C(CHHN)(H)3	N(C[4]C[4]2H)(CCHH)2(CH3)	C(NC[4]CC)(CH3)(H)2	C(CHHN)(H)3	N(C[4]C[4]2H)(CCHH)2(CH3)	115.1740	0.408	4	115.1740	0.167	4	115.3946	0.224	7	115.2396	2.706	3718	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:4:4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[4]-4:C-4:C-4:C-4:	C(NC[4]CC)(CH3)(H)2	C(CHHN)(H)3	N(C[4]C[4]N[4]H)(CCHH)3	C(NC[4]CC)(CH3)(H)2	C(CHHN)(H)3	N(C[4]C[4]N[4]H)(CCHH)3	115.6887	0.443	3	115.6887	0.196	3	115.3946	0.224	7	115.2396	2.706	3718	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:4:4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C(NC[5]CC)(CH3)(H)2	C(CHHN)(H)3	N(C[5]C[5,6a]C[5]H)(CCHH)3	C(NC[5]CC)(CH3)(H)2	C(CHHN)(H)3	N(C[5]C[5,6a]C[5]H)(CCHH)3	116.2193	1.040	6	116.2193	1.082	6	116.2193	1.082	6	115.2396	2.706	3718	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:4:4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C(NC[6]CC)(CH3)(H)2	C(CHHN)(H)3	N(C[6]C[6]2H)(CCHH)3	C(NC[6]CC)(CH3)(H)2	C(CHHN)(H)3	N(C[6]C[6]2H)(CCHH)3	116.2112	0.676	6	116.2112	0.457	6	116.2112	0.457	6	115.2396	2.706	3718	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:4:4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	Si-4:Si-4:C-4:C-4:	C(NSi2C)(CH3)(H)2	C(CHHN)(H)3	N(SiCCW)2(CCHH)2	C(NSi2C)(CH3)(H)2	C(CHHN)(H)3	N(SiCCW)2(CCHH)2	115.6020	0.990	2	115.6020	0.980	2	115.4530	0.950	4	115.2396	2.706	3718	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	4:4:4:4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	Si-4:Si-4:C-4:C-4:	C(NSi2C)(CH3)(H)2	C(CHHN)(H)3	N(SiMoCC)2(CCHH)2	C(NSi2C)(CH3)(H)2	C(CHHN)(H)3	N(SiMoCC)2(CCHH)2	115.3040	1.335	2	115.3040	1.782	2	115.4530	0.950	4	115.2396	2.706	3718	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	5:4:4:1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	B[3,3,5,3x6]-5:C-4:C-4:H-1:	C(NB[3,3,5,3x6]CH)(CH3)(H)2	C(CHHN)(H)3	N(B[3,3,5,3x6]B[4x3,5,5,4x6]2B[5x3,5,5,6]H)(CCHH)2(H)	C(NB[3,3,5,3x6]CH)(CH3)(H)2	C(CHHN)(H)3	N(B[3,3,5,3x6]B[4x3,5,5,4x6]2B[5x3,5,5,6]H)(CCHH)2(H)	113.8505	0.377	2	113.8505	0.142	2	113.8505	0.142	2	113.8713	0.533	4	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	5:4:4:1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	B[3,3,6,6]-5:C-4:C-4:H-1:	C(NB[3,3,6,6]CH)(CH3)(H)2	C(CHHN)(H)3	N(B[3,3,6,6]B[4x3,5,5,12x6]B[4x3,4,5,7x6]B[3,4,4x6]H)(CCHH)2(H)	C(NB[3,3,6,6]CH)(CH3)(H)2	C(CHHN)(H)3	N(B[3,3,6,6]B[4x3,5,5,12x6]B[4x3,4,5,7x6]B[3,4,4x6]H)(CCHH)2(H)	113.8920	1.206	2	113.8920	1.455	2	113.8920	1.455	2	113.8713	0.533	4	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	6:4:4:1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	In[4]-6:C-4:C-4:H-1:	C(NIn[4]CH)(CH3)(H)2	C(CHHN)(H)3	N(In[4]Cl[4]2Cl3)(CCHH)2(H)	C(NIn[4]CH)(CH3)(H)2	C(CHHN)(H)3	N(In[4]Cl[4]2Cl3)(CCHH)2(H)	112.6680	0.167	2	112.6680	0.028	2	112.6680	0.028	2	112.6680	0.028	2	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:1:1:1:	6:4:4:4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	B[5x3,5x5,20x6]-6:C-4:C-4:C-4:	C(NB[5x3,5x5,20x6]CC)(CH3)(H)2	C(CHHN)(H)3	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CCHH)3	C(NB[5x3,5x5,20x6]CC)(CH3)(H)2	C(CHHN)(H)3	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CCHH)3	116.2457	0.976	3	116.2457	0.952	3	116.2457	0.952	3	116.2457	0.952	3	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:2:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NH3)(H)2	C(CHHN)(CC)(H)2	N(CCHH)(H)3	C(CCHH)(NH3)(H)2	C(CHHN)(CC)(H)2	N(CCHH)(H)3	110.5820	0.000	1	110.5820	0.000	1	111.0605	0.458	2	111.4204	1.710	94	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:2:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NH3)(H)2	C(CHHN)(CN)(H)2	N(CCHH)(H)3	C(CCHH)(NH3)(H)2	C(CHHN)(CN)(H)2	N(CCHH)(H)3	111.5390	0.000	1	111.5390	0.000	1	111.0605	0.458	2	111.4204	1.710	94	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:2:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(NH3)(H)2	C(CHHN)(NH)(H)2	N(CCHH)(H)3	C(CHHN)(NH3)(H)2	C(CHHN)(NH)(H)2	N(CCHH)(H)3	111.8500	0.397	2	111.8500	0.158	2	111.8053	0.403	4	111.4204	1.710	94	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:2:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(NH3)(H)2	C(CHHN)(NN)(H)2	N(CCHH)(H)3	C(CHHN)(NH3)(H)2	C(CHHN)(NN)(H)2	N(CCHH)(H)3	112.4830	0.000	1	112.4830	0.000	1	111.8053	0.403	4	111.4204	1.710	94	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:2:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(NH3)(H)2	C(CHHN)(NP)(H)2	N(CCHH)(H)3	C(CHHN)(NH3)(H)2	C(CHHN)(NP)(H)2	N(CCHH)(H)3	111.0380	0.000	1	111.0380	0.000	1	111.8053	0.403	4	111.4204	1.710	94	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:2:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(NH3)(H)2	C(CHHN)(OC)(H)2	N(CCHH)(H)3	C(CHHO)(NH3)(H)2	C(CHHN)(OC)(H)2	N(CCHH)(H)3	110.8262	0.945	21	110.8262	0.893	21	111.4372	1.941	63	111.4204	1.710	94	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:2:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(NH3)(H)2	C(CHHN)(OH)(H)2	N(CCHH)(H)3	C(CHHO)(NH3)(H)2	C(CHHN)(OH)(H)2	N(CCHH)(H)3	111.7427	1.488	42	111.7427	2.213	42	111.4372	1.941	63	111.4204	1.710	94	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:2:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)(NH3)(H)2	C(CHHN)(SC)(H)2	N(CCHH)(H)3	C(CHHS)(NH3)(H)2	C(CHHN)(SC)(H)2	N(CCHH)(H)3	111.1985	2.412	2	111.1985	5.817	2	111.3450	1.501	25	111.4204	1.710	94	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:2:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)(NH3)(H)2	C(CHHN)(SH)(H)2	N(CCHH)(H)3	C(CHHS)(NH3)(H)2	C(CHHN)(SH)(H)2	N(CCHH)(H)3	111.1787	1.050	3	111.1787	1.103	3	111.3450	1.501	25	111.4204	1.710	94	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:2:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)(NH3)(H)2	C(CHHN)(SRe)(H)2	N(CCHH)(H)3	C(CHHS)(NH3)(H)2	C(CHHN)(SRe)(H)2	N(CCHH)(H)3	109.9920	0.000	1	109.9920	0.000	1	111.3450	1.501	25	111.4204	1.710	94	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:2:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)(NH3)(H)2	C(CHHN)(SS)(H)2	N(CCHH)(H)3	C(CHHS)(NH3)(H)2	C(CHHN)(SS)(H)2	N(CCHH)(H)3	111.4579	1.198	19	111.4579	1.434	19	111.3450	1.501	25	111.4204	1.710	94	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:2:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CHHN)(NCHH)(H)2	C(CHHN)(NC)(H)2	N(CCHH)(CC3)(H)2	C(CHHN)(NCHH)(H)2	C(CHHN)(NC)(H)2	N(CCHH)(CC3)(H)2	109.7897	0.124	4	109.7897	0.015	4	110.3809	0.945	14	111.0581	1.190	85	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:2:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CHHN)(NCHH)(H)2	C(CHHN)(NC)(H)2	N(CCHH)2(H)2	C(CHHN)(NCHH)(H)2	C(CHHN)(NC)(H)2	N(CCHH)2(H)2	110.5084	1.258	7	110.5084	1.583	7	110.3809	0.945	14	111.0581	1.190	85	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:2:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CHHN)(NCHH)(H)2	C(CHHN)(NC)(H)2	N(CC[6a]HH)(CCHH)(H)2	C(CHHN)(NCHH)(H)2	C(CHHN)(NC)(H)2	N(CC[6a]HH)(CCHH)(H)2	111.4440	0.000	1	111.4440	0.000	1	110.3809	0.945	14	111.0581	1.190	85	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:2:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CHHN)(NCHH)(H)2	C(CHHN)(NN)(H)2	N(CCHH)2(H)2	C(CHHN)(NCHH)(H)2	C(CHHN)(NN)(H)2	N(CCHH)2(H)2	110.5855	0.107	2	110.5855	0.011	2	110.3809	0.945	14	111.0581	1.190	85	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:2:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CHHO)(NCHH)(H)2	C(CHHN)(OC)(H)2	N(CCHH)2(H)2	C(CHHO)(NCHH)(H)2	C(CHHN)(OC)(H)2	N(CCHH)2(H)2	111.2592	1.017	29	111.2592	1.034	29	111.1857	1.283	58	111.0581	1.190	85	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:2:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CHHO)(NCHH)(H)2	C(CHHN)(OC)(H)2	N(CC[6a]HH)(CCHH)(H)2	C(CHHO)(NCHH)(H)2	C(CHHN)(OC)(H)2	N(CC[6a]HH)(CCHH)(H)2	110.4283	2.161	4	110.4283	4.668	4	111.1857	1.283	58	111.0581	1.190	85	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:2:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CHHO)(NCHH)(H)2	C(CHHN)(OH)(H)2	N(CCHH)(CC3)(H)2	C(CHHO)(NCHH)(H)2	C(CHHN)(OH)(H)2	N(CCHH)(CC3)(H)2	110.4425	0.396	4	110.4425	0.157	4	111.1857	1.283	58	111.0581	1.190	85	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:2:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CHHO)(NCHH)(H)2	C(CHHN)(OH)(H)2	N(CCHH)(CCHP)(H)2	C(CHHO)(NCHH)(H)2	C(CHHN)(OH)(H)2	N(CCHH)(CCHP)(H)2	110.3200	0.000	1	110.3200	0.000	1	111.1857	1.283	58	111.0581	1.190	85	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:2:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CHHO)(NCHH)(H)2	C(CHHN)(OH)(H)2	N(CCHH)2(H)2	C(CHHO)(NCHH)(H)2	C(CHHN)(OH)(H)2	N(CCHH)2(H)2	111.5199	1.064	15	111.5199	1.133	15	111.1857	1.283	58	111.0581	1.190	85	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:2:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CHHO)(NCHH)(H)2	C(CHHN)(OH)(H)2	N(CC[6a]HH)(CCHH)(H)2	C(CHHO)(NCHH)(H)2	C(CHHN)(OH)(H)2	N(CC[6a]HH)(CCHH)(H)2	111.9285	2.109	2	111.9285	4.449	2	111.1857	1.283	58	111.0581	1.190	85	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:2:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CHHO)(NCHH)(H)2	C(CHHN)(OH)(H)2	N(CC[6a]HP)(CCHH)(H)2	C(CHHO)(NCHH)(H)2	C(CHHN)(OH)(H)2	N(CC[6a]HP)(CCHH)(H)2	110.4980	0.283	2	110.4980	0.080	2	111.1857	1.283	58	111.0581	1.190	85	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:2:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CHHO)(NCHH)(H)2	C(CHHN)(OSi)(H)2	N(CCHH)2(H)2	C(CHHO)(NCHH)(H)2	C(CHHN)(OSi)(H)2	N(CCHH)2(H)2	110.7960	0.000	1	110.7960	0.000	1	111.1857	1.283	58	111.0581	1.190	85	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:2:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CHHO)(NHHN)(H)2	C(CHHN)(OH)(H)2	N(CCHH)(NH3)(H)2	C(CHHO)(NHHN)(H)2	C(CHHN)(OH)(H)2	N(CCHH)(NH3)(H)2	110.9480	0.000	1	110.9480	0.000	1	110.9480	0.000	1	111.0581	1.190	85	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:2:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CHHS)(NCHH)(H)2	C(CHHN)(SC)(H)2	N(CCHH)2(H)2	C(CHHS)(NCHH)(H)2	C(CHHN)(SC)(H)2	N(CCHH)2(H)2	111.1459	0.766	10	111.1459	0.587	10	111.1459	0.587	10	111.0581	1.190	85	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:2:1:1:	4:4:1:1:	N-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C(NC[6]HH)(CHHO)(H)2	C(CHHN)(OC)(H)2	N(C[6]C[6]2H)(CCHH)(H)2	C(NC[6]HH)(CHHO)(H)2	C(CHHN)(OC)(H)2	N(C[6]C[6]2H)(CCHH)(H)2	111.7145	0.967	2	111.7145	0.934	2	111.7145	0.934	2	111.0581	1.190	85	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:2:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCHH)(NCCH)(H)2	C(CHHN)(CN)(H)2	N(CCHH)3(H)	C(CCHH)(NCCH)(H)2	C(CHHN)(CN)(H)2	N(CCHH)3(H)	113.3057	0.554	3	113.3057	0.307	3	113.3057	0.307	3	112.8948	5.402	171	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:2:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHN)(NCCH)(H)2	C(CHHN)(NC)(H)2	N(CCHH)3(H)	C(CHHN)(NCCH)(H)2	C(CHHN)(NC)(H)2	N(CCHH)3(H)	114.6950	2.374	8	114.6950	5.634	8	114.6950	5.634	8	112.8948	5.402	171	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:2:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHO)(NCCH)(H)2	C(CHHN)(OC)(H)2	N(CCHH)(CH3)2(H)	C(CHHO)(NCCH)(H)2	C(CHHN)(OC)(H)2	N(CCHH)(CH3)2(H)	112.8131	1.187	20	112.8131	1.410	20	112.7469	5.571	145	112.8948	5.402	171	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:2:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHO)(NCCH)(H)2	C(CHHN)(OC)(H)2	N(CCHH)(CHHP)2(H)	C(CHHO)(NCCH)(H)2	C(CHHN)(OC)(H)2	N(CCHH)(CHHP)2(H)	114.9355	0.558	2	114.9355	0.311	2	112.7469	5.571	145	112.8948	5.402	171	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:2:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHO)(NCCH)(H)2	C(CHHN)(OC)(H)2	N(CCHH)2(CHHP)(H)	C(CHHO)(NCCH)(H)2	C(CHHN)(OC)(H)2	N(CCHH)2(CHHP)(H)	113.5420	0.634	4	113.5420	0.402	4	112.7469	5.571	145	112.8948	5.402	171	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:2:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHO)(NCCH)(H)2	C(CHHN)(OC)(H)2	N(CCHH)3(H)	C(CHHO)(NCCH)(H)2	C(CHHN)(OC)(H)2	N(CCHH)3(H)	112.2032	2.218	36	112.2032	4.920	36	112.7469	5.571	145	112.8948	5.402	171	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:2:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHO)(NCCH)(H)2	C(CHHN)(OC)(H)2	N(CC[6]HH)(CCHH)2(H)	C(CHHO)(NCCH)(H)2	C(CHHN)(OC)(H)2	N(CC[6]HH)(CCHH)2(H)	113.8083	0.484	4	113.8083	0.234	4	112.7469	5.571	145	112.8948	5.402	171	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:2:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHO)(NCCH)(H)2	C(CHHN)(OC)(H)2	N(CC[6a]HH)(CCHH)2(H)	C(CHHO)(NCCH)(H)2	C(CHHN)(OC)(H)2	N(CC[6a]HH)(CCHH)2(H)	111.5802	1.649	18	111.5802	2.718	18	112.7469	5.571	145	112.8948	5.402	171	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:2:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHO)(NCCH)(H)2	C(CHHN)(OH)(H)2	N(CCCH)2(CCHH)(H)	C(CHHO)(NCCH)(H)2	C(CHHN)(OH)(H)2	N(CCCH)2(CCHH)(H)	113.3100	0.000	1	113.3100	0.000	1	112.7469	5.571	145	112.8948	5.402	171	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:2:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHO)(NCCH)(H)2	C(CHHN)(OH)(H)2	N(CCHH)(CH3)2(H)	C(CHHO)(NCCH)(H)2	C(CHHN)(OH)(H)2	N(CCHH)(CH3)2(H)	112.4444	0.852	9	112.4444	0.726	9	112.7469	5.571	145	112.8948	5.402	171	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:2:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHO)(NCCH)(H)2	C(CHHN)(OH)(H)2	N(CCHH)2(CC3)(H)	C(CHHO)(NCCH)(H)2	C(CHHN)(OH)(H)2	N(CCHH)2(CC3)(H)	111.7045	1.831	2	111.7045	3.351	2	112.7469	5.571	145	112.8948	5.402	171	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:2:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHO)(NCCH)(H)2	C(CHHN)(OH)(H)2	N(CCHH)3(H)	C(CHHO)(NCCH)(H)2	C(CHHN)(OH)(H)2	N(CCHH)3(H)	112.4509	2.187	36	112.4509	4.782	36	112.7469	5.571	145	112.8948	5.402	171	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:2:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHO)(NCCH)(H)2	C(CHHN)(OH)(H)2	N(CC[6a]HH)(CCHH)2(H)	C(CHHO)(NCCH)(H)2	C(CHHN)(OH)(H)2	N(CC[6a]HH)(CCHH)2(H)	110.5257	1.252	4	110.5257	1.567	4	112.7469	5.571	145	112.8948	5.402	171	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:2:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHO)(NCCH)(H)2	C(CHHN)(OSi)(H)2	N(CCHH)3(H)	C(CHHO)(NCCH)(H)2	C(CHHN)(OSi)(H)2	N(CCHH)3(H)	118.4399	0.695	9	118.4399	0.483	9	112.7469	5.571	145	112.8948	5.402	171	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:2:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-1:	C(CHHO)(NCCO)(H)2	C(CHHN)(OH)(H)2	N(CCHH)3(O)	C(CHHO)(NCCO)(H)2	C(CHHN)(OH)(H)2	N(CCHH)3(O)	116.0947	0.022	3	116.0947	0.000	3	116.0947	0.000	3	112.8948	5.402	171	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:2:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHS)(NCCH)(H)2	C(CHHN)(SC)(H)2	N(CCHH)2(CHHP)(H)	C(CHHS)(NCCH)(H)2	C(CHHN)(SC)(H)2	N(CCHH)2(CHHP)(H)	112.1510	0.000	1	112.1510	0.000	1	112.5493	1.438	11	112.8948	5.402	171	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:2:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHS)(NCCH)(H)2	C(CHHN)(SC)(H)2	N(CCHH)3(H)	C(CHHS)(NCCH)(H)2	C(CHHN)(SC)(H)2	N(CCHH)3(H)	113.2517	1.613	3	113.2517	2.601	3	112.5493	1.438	11	112.8948	5.402	171	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:2:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHS)(NCCH)(H)2	C(CHHN)(SC)(H)2	N(CC[6a]HH)(CCHH)2(H)	C(CHHS)(NCCH)(H)2	C(CHHN)(SC)(H)2	N(CC[6a]HH)(CCHH)2(H)	112.8498	0.561	4	112.8498	0.315	4	112.5493	1.438	11	112.8948	5.402	171	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:2:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHS)(NCCH)(H)2	C(CHHN)(SH)(H)2	N(CCCH)2(CCHH)(H)	C(CHHS)(NCCH)(H)2	C(CHHN)(SH)(H)2	N(CCCH)2(CCHH)(H)	110.9145	0.869	2	110.9145	0.755	2	112.5493	1.438	11	112.8948	5.402	171	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:2:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHS)(NCCH)(H)2	C(CHHN)(SH)(H)2	N(CCHH)3(H)	C(CHHS)(NCCH)(H)2	C(CHHN)(SH)(H)2	N(CCHH)3(H)	112.9080	0.000	1	112.9080	0.000	1	112.5493	1.438	11	112.8948	5.402	171	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:2:1:1:	4:4:4:1:	N-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C(NC[6]CH)(CHHO)(H)2	C(CHHN)(OH)(H)2	N(C[6]C[6]2H)(CCHH)2(H)	C(NC[6]CH)(CHHO)(H)2	C(CHHN)(OH)(H)2	N(C[6]C[6]2H)(CCHH)2(H)	112.9130	0.000	1	112.9130	0.000	1	112.9130	0.000	1	112.8948	5.402	171	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:2:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(NC3)(H)2	C(CHHN)(CC)(H)2	N(CCHH)4	C(CCHH)(NC3)(H)2	C(CHHN)(CC)(H)2	N(CCHH)4	115.8410	0.000	1	115.8410	0.000	1	115.8410	0.000	1	115.5593	10.256	53	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:2:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CHHO)(NC3)(H)2	C(CHHN)(OC)(H)2	N(CCHH)(CH3)3	C(CHHO)(NC3)(H)2	C(CHHN)(OC)(H)2	N(CCHH)(CH3)3	115.7150	0.593	6	115.7150	0.351	6	115.5760	10.868	50	115.5593	10.256	53	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:2:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CHHO)(NC3)(H)2	C(CHHN)(OC)(H)2	N(CCHH)3(CH3)	C(CHHO)(NC3)(H)2	C(CHHN)(OC)(H)2	N(CCHH)3(CH3)	115.8223	1.181	3	115.8223	1.394	3	115.5760	10.868	50	115.5593	10.256	53	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:2:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CHHO)(NC3)(H)2	C(CHHN)(OH)(H)2	N(CCHH)(CH3)3	C(CHHO)(NC3)(H)2	C(CHHN)(OH)(H)2	N(CCHH)(CH3)3	115.0597	4.190	29	115.0597	17.553	29	115.5760	10.868	50	115.5593	10.256	53	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:2:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CHHO)(NC3)(H)2	C(CHHN)(OH)(H)2	N(CCHH)3(CH3)	C(CHHO)(NC3)(H)2	C(CHHN)(OH)(H)2	N(CCHH)3(CH3)	116.4215	0.479	2	116.4215	0.229	2	115.5760	10.868	50	115.5593	10.256	53	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:2:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CHHO)(NC3)(H)2	C(CHHN)(OH)(H)2	N(CCHH)4	C(CHHO)(NC3)(H)2	C(CHHN)(OH)(H)2	N(CCHH)4	116.9795	0.047	2	116.9795	0.002	2	115.5760	10.868	50	115.5593	10.256	53	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:2:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CHHO)(NC3)(H)2	C(CHHN)(OH)(H)2	N(CC[6]HH)(CCHH)(CH3)2	C(CHHO)(NC3)(H)2	C(CHHN)(OH)(H)2	N(CC[6]HH)(CCHH)(CH3)2	117.8940	0.000	1	117.8940	0.000	1	115.5760	10.868	50	115.5593	10.256	53	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:2:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CHHO)(NC3)(H)2	C(CHHN)(OP)(H)2	N(CCHH)(CH3)3	C(CHHO)(NC3)(H)2	C(CHHN)(OP)(H)2	N(CCHH)(CH3)3	116.5400	0.761	3	116.5400	0.579	3	115.5760	10.868	50	115.5593	10.256	53	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:2:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CHHO)(NC3)(H)2	C(CHHN)(OP)(H)2	N(CCHH)2(CH3)2	C(CHHO)(NC3)(H)2	C(CHHN)(OP)(H)2	N(CCHH)2(CH3)2	117.4130	0.224	3	117.4130	0.050	3	115.5760	10.868	50	115.5593	10.256	53	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:2:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CHHO)(NC3)(H)2	C(CHHN)(OS)(H)2	N(CC[6]HH)(CCHH)(CH3)2	C(CHHO)(NC3)(H)2	C(CHHN)(OS)(H)2	N(CC[6]HH)(CCHH)(CH3)2	113.7550	0.000	1	113.7550	0.000	1	115.5760	10.868	50	115.5593	10.256	53	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:2:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:C-4:C-4:B-4:	C(CHHS)(NBCC)(H)2	C(CHHN)(SC)(H)2	N(CCHH)3(BH3)	C(CHHS)(NBCC)(H)2	C(CHHN)(SC)(H)2	N(CCHH)3(BH3)	115.0025	0.293	2	115.0025	0.086	2	115.0025	0.086	2	115.5593	10.256	53	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	3:4:4:4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	Ga-3:C-4:C-4:C-4:	C(NGaCC)(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(GaClCr)(CCHH)(CH3)2	C(NGaCC)(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(GaClCr)(CCHH)(CH3)2	110.4570	0.000	1	110.4570	0.000	1	110.4570	0.000	1	110.4570	0.000	1	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NH3)(H)2	C(CHHN)(CHH)(H)2	N(CCHH)(H)3	C(CCHH)(NH3)(H)2	C(CHHN)(CHH)(H)2	N(CCHH)(H)3	105.0480	0.100	2	105.0480	0.010	2	111.2867	4.007	31	111.5365	3.182	203	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NH3)(H)2	C(CHHN)(CNO)(H)2	N(CCHH)(H)3	C(CCHH)(NH3)(H)2	C(CHHN)(CNO)(H)2	N(CCHH)(H)3	111.5910	0.571	8	111.5910	0.326	8	111.2867	4.007	31	111.5365	3.182	203	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NH3)(H)2	C(CHHN)(COO)(H)2	N(CCHH)(H)3	C(CCHH)(NH3)(H)2	C(CHHN)(COO)(H)2	N(CCHH)(H)3	111.7650	1.314	21	111.7650	1.727	21	111.2867	4.007	31	111.5365	3.182	203	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-1:C-1:H-1:	C(CHHN)(NCCH)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)(C)2(H)	C(CHHN)(NCCH)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)(C)2(H)	116.6510	0.000	1	116.6510	0.000	1	116.6510	0.000	1	111.5365	3.182	203	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(NH3)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(H)3	C(CHHN)(NH3)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(H)3	111.1373	1.112	96	111.1373	1.236	96	111.4577	2.421	161	111.5365	3.182	203	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(NH3)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)(H)3	C(CHHN)(NH3)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)(H)3	111.9525	1.750	41	111.9525	3.064	41	111.4577	2.421	161	111.5365	3.182	203	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(NH3)(H)2	C(CHHN)(NCoC)(H)2	N(CCHH)(H)3	C(CHHN)(NH3)(H)2	C(CHHN)(NCoC)(H)2	N(CCHH)(H)3	109.5230	0.000	1	109.5230	0.000	1	111.4577	2.421	161	111.5365	3.182	203	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(NH3)(H)2	C(CHHN)(NHH)(H)2	N(CCHH)(H)3	C(CHHN)(NH3)(H)2	C(CHHN)(NHH)(H)2	N(CCHH)(H)3	111.9974	2.307	23	111.9974	5.322	23	111.4577	2.421	161	111.5365	3.182	203	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(NH3)(H)2	C(CHHN)(OCoH)(H)2	N(CCHH)(H)3	C(CHHO)(NH3)(H)2	C(CHHN)(OCoH)(H)2	N(CCHH)(H)3	111.8060	0.000	1	111.8060	0.000	1	111.8060	0.000	1	111.5365	3.182	203	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)(NH3)(H)2	C(CHHN)(SCC)(H)2	N(CCHH)(H)3	C(CHHS)(NH3)(H)2	C(CHHN)(SCC)(H)2	N(CCHH)(H)3	116.3307	4.068	3	116.3307	16.550	3	113.2087	10.101	9	111.5365	3.182	203	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)(NH3)(H)2	C(CHHN)(SCoC)(H)2	N(CCHH)(H)3	C(CHHS)(NH3)(H)2	C(CHHN)(SCoC)(H)2	N(CCHH)(H)3	111.9050	0.000	1	111.9050	0.000	1	113.2087	10.101	9	111.5365	3.182	203	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)(NH3)(H)2	C(CHHN)(SFe2)(H)2	N(CCHH)(H)3	C(CHHS)(NH3)(H)2	C(CHHN)(SFe2)(H)2	N(CCHH)(H)3	109.8990	0.000	1	109.8990	0.000	1	113.2087	10.101	9	111.5365	3.182	203	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)(NH3)(H)2	C(CHHN)(SMn2)(H)2	N(CCHH)(H)3	C(CHHS)(NH3)(H)2	C(CHHN)(SMn2)(H)2	N(CCHH)(H)3	112.0250	0.288	3	112.0250	0.083	3	113.2087	10.101	9	111.5365	3.182	203	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)(NH3)(H)2	C(CHHN)(SPd2)(H)2	N(CCHH)(H)3	C(CHHS)(NH3)(H)2	C(CHHN)(SPd2)(H)2	N(CCHH)(H)3	112.0070	0.000	1	112.0070	0.000	1	113.2087	10.101	9	111.5365	3.182	203	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CHHN)(NCHH)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)(CCH)(H)2	C(CHHN)(NCHH)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)(CCH)(H)2	110.6810	0.000	1	110.6810	0.000	1	110.6810	0.000	1	110.6810	0.000	1	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(NCHH)(H)2	C(CHHN)(CCH)(H)2	N(CCHH)(CH3)(H)2	C(CCHH)(NCHH)(H)2	C(CHHN)(CCH)(H)2	N(CCHH)(CH3)(H)2	110.6370	0.000	1	110.6370	0.000	1	111.8770	0.806	11	111.2588	2.649	266	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(NCHH)(H)2	C(CHHN)(CNO)(H)2	N(CCCH)(CCHH)(H)2	C(CCHH)(NCHH)(H)2	C(CHHN)(CNO)(H)2	N(CCCH)(CCHH)(H)2	111.7180	0.000	1	111.7180	0.000	1	111.8770	0.806	11	111.2588	2.649	266	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(NCHH)(H)2	C(CHHN)(CNO)(H)2	N(CCHH)2(H)2	C(CCHH)(NCHH)(H)2	C(CHHN)(CNO)(H)2	N(CCHH)2(H)2	111.7583	1.216	3	111.7583	1.478	3	111.8770	0.806	11	111.2588	2.649	266	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(NCHH)(H)2	C(CHHN)(COO)(H)2	N(CCHH)2(H)2	C(CCHH)(NCHH)(H)2	C(CHHN)(COO)(H)2	N(CCHH)2(H)2	111.6850	0.055	2	111.6850	0.003	2	111.8770	0.806	11	111.2588	2.649	266	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(NCHH)(H)2	C(CHHN)(COO)(H)2	N(CC[5]HH)(CCHH)(H)2	C(CCHH)(NCHH)(H)2	C(CHHN)(COO)(H)2	N(CC[5]HH)(CCHH)(H)2	113.3890	0.000	1	113.3890	0.000	1	111.8770	0.806	11	111.2588	2.649	266	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(NCHH)(H)2	C(CHHN)(COO)(H)2	N(CC[6a]HH)(CCHH)(H)2	C(CCHH)(NCHH)(H)2	C(CHHN)(COO)(H)2	N(CC[6a]HH)(CCHH)(H)2	112.0860	0.709	3	112.0860	0.503	3	111.8770	0.806	11	111.2588	2.649	266	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CHHN)(NCHH)(H)2	C(CHHN)(NCC)(H)2	N(CCCH)(CCHH)(H)2	C(CHHN)(NCHH)(H)2	C(CHHN)(NCC)(H)2	N(CCCH)(CCHH)(H)2	111.6710	0.000	1	111.6710	0.000	1	111.1988	2.400	252	111.2588	2.649	266	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CHHN)(NCHH)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)2(H)2	C(CHHN)(NCHH)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)2(H)2	110.4975	1.489	26	110.4975	2.216	26	111.1988	2.400	252	111.2588	2.649	266	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CHHN)(NCHH)(H)2	C(CHHN)(NCC)(H)2	N(CC[5a]HH)(CCHH)(H)2	C(CHHN)(NCHH)(H)2	C(CHHN)(NCC)(H)2	N(CC[5a]HH)(CCHH)(H)2	110.2780	1.758	6	110.2780	3.090	6	111.1988	2.400	252	111.2588	2.649	266	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CHHN)(NCHH)(H)2	C(CHHN)(NCC)(H)2	N(CC[6]HH)(CCHH)(H)2	C(CHHN)(NCHH)(H)2	C(CHHN)(NCC)(H)2	N(CC[6]HH)(CCHH)(H)2	109.2580	0.000	1	109.2580	0.000	1	111.1988	2.400	252	111.2588	2.649	266	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CHHN)(NCHH)(H)2	C(CHHN)(NCC)(H)2	N(CC[6a]HH)(CCHH)(H)2	C(CHHN)(NCHH)(H)2	C(CHHN)(NCC)(H)2	N(CC[6a]HH)(CCHH)(H)2	111.1516	1.725	94	111.1516	2.974	94	111.1988	2.400	252	111.2588	2.649	266	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CHHN)(NCHH)(H)2	C(CHHN)(NCH)(H)2	N(CCCH)(CCHH)(H)2	C(CHHN)(NCHH)(H)2	C(CHHN)(NCH)(H)2	N(CCCH)(CCHH)(H)2	110.9423	0.315	12	110.9423	0.099	12	111.1988	2.400	252	111.2588	2.649	266	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CHHN)(NCHH)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)(CC3)(H)2	C(CHHN)(NCHH)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)(CC3)(H)2	111.1426	1.156	11	111.1426	1.337	11	111.1988	2.400	252	111.2588	2.649	266	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CHHN)(NCHH)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)(CH3)(H)2	C(CHHN)(NCHH)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)(CH3)(H)2	114.7370	0.000	1	114.7370	0.000	1	111.1988	2.400	252	111.2588	2.649	266	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CHHN)(NCHH)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)2(H)2	C(CHHN)(NCHH)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)2(H)2	111.2253	1.353	67	111.2253	1.830	67	111.1988	2.400	252	111.2588	2.649	266	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CHHN)(NCHH)(H)2	C(CHHN)(NCH)(H)2	N(CC[6a]HH)(CCHH)(H)2	C(CHHN)(NCHH)(H)2	C(CHHN)(NCH)(H)2	N(CC[6a]HH)(CCHH)(H)2	110.6303	1.589	6	110.6303	2.525	6	111.1988	2.400	252	111.2588	2.649	266	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CHHN)(NCHH)(H)2	C(CHHN)(NCuC)(H)2	N(CCCH)(CCHH)(H)2	C(CHHN)(NCHH)(H)2	C(CHHN)(NCuC)(H)2	N(CCCH)(CCHH)(H)2	111.6150	0.952	2	111.6150	0.906	2	111.1988	2.400	252	111.2588	2.649	266	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CHHN)(NCHH)(H)2	C(CHHN)(NHH)(H)2	N(CCHH)2(H)2	C(CHHN)(NCHH)(H)2	C(CHHN)(NHH)(H)2	N(CCHH)2(H)2	111.6887	1.896	4	111.6887	3.593	4	111.1988	2.400	252	111.2588	2.649	266	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CHHN)(NCHH)(H)2	C(CHHN)(NNiC)(H)2	N(CCCH)(CCHH)(H)2	C(CHHN)(NCHH)(H)2	C(CHHN)(NNiC)(H)2	N(CCCH)(CCHH)(H)2	111.7310	1.153	2	111.7310	1.328	2	111.1988	2.400	252	111.2588	2.649	266	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CHHN)(NCHH)(H)2	C(CHHN)(NNiC)(H)2	N(CCHH)2(H)2	C(CHHN)(NCHH)(H)2	C(CHHN)(NNiC)(H)2	N(CCHH)2(H)2	111.8755	0.967	2	111.8755	0.934	2	111.1988	2.400	252	111.2588	2.649	266	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CHHN)(NCHH)(H)2	C(CHHN)(NZnC)(H)2	N(CCCH)(CCHH)(H)2	C(CHHN)(NCHH)(H)2	C(CHHN)(NZnC)(H)2	N(CCCH)(CCHH)(H)2	112.4199	0.779	7	112.4199	0.607	7	111.1988	2.400	252	111.2588	2.649	266	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CHHN)(NCHH)(H)2	C(CHHN)(NZnC)(H)2	N(CCHH)(CH3)(H)2	C(CHHN)(NCHH)(H)2	C(CHHN)(NZnC)(H)2	N(CCHH)(CH3)(H)2	112.9010	0.420	3	112.9010	0.177	3	111.1988	2.400	252	111.2588	2.649	266	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CHHN)(NCHH)(H)2	C(CHHN)(NZnC)(H)2	N(CCHH)2(H)2	C(CHHN)(NCHH)(H)2	C(CHHN)(NZnC)(H)2	N(CCHH)2(H)2	112.9960	1.095	7	112.9960	1.198	7	111.1988	2.400	252	111.2588	2.649	266	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:1:1:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	In-4:C-4:H-1:H-1:	C(NInHH)(CHHN)(H)2	C(CHHN)(NCH)(H)2	N(InTe2N)(CCHH)(H)2	C(NInHH)(CHHN)(H)2	C(CHHN)(NCH)(H)2	N(InTe2N)(CCHH)(H)2	120.5020	0.000	1	120.5020	0.000	1	114.0377	31.648	3	111.2588	2.649	266	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:1:1:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	In-4:C-4:H-1:H-1:	C(NInHH)(CHHN)(H)2	C(CHHN)(NHH)(H)2	N(InTe2N)(CCHH)(H)2	C(NInHH)(CHHN)(H)2	C(CHHN)(NHH)(H)2	N(InTe2N)(CCHH)(H)2	110.8055	0.784	2	110.8055	0.615	2	114.0377	31.648	3	111.2588	2.649	266	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:2:1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CHHN)(NCHO)(H)2	C(CHHN)(NCO)(H)2	N(CCHH)(CH3)(OGa)(H)	C(CHHN)(NCHO)(H)2	C(CHHN)(NCO)(H)2	N(CCHH)(CH3)(OGa)(H)	115.8450	0.000	1	115.8450	0.000	1	115.8450	0.000	1	115.8450	0.000	1	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:2:4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:Ge-2:C-4:	C(NGeCC)(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)2(GeCl)(CH3)	C(NGeCC)(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)2(GeCl)(CH3)	111.2345	0.349	2	111.2345	0.122	2	111.2345	0.122	2	111.2345	0.122	2	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCHH)(NCCH)(H)2	C(CHHN)(CCH)(H)2	N(CCHH)(CH3)2(H)	C(CCHH)(NCCH)(H)2	C(CHHN)(CCH)(H)2	N(CCHH)(CH3)2(H)	113.5217	1.031	3	113.5217	1.063	3	113.0307	0.664	9	113.0586	3.594	221	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCHH)(NCCH)(H)2	C(CHHN)(COO)(H)2	N(CCHH)3(H)	C(CCHH)(NCCH)(H)2	C(CHHN)(COO)(H)2	N(CCHH)3(H)	112.7852	0.648	6	112.7852	0.420	6	113.0307	0.664	9	113.0586	3.594	221	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHN)(NCCH)(H)2	C(CHHN)(NCC)(H)2	N(CCCH)(CCHH)(CH3)(H)	C(CHHN)(NCCH)(H)2	C(CHHN)(NCC)(H)2	N(CCCH)(CCHH)(CH3)(H)	110.3780	0.000	1	110.3780	0.000	1	113.1209	3.613	207	113.0586	3.594	221	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHN)(NCCH)(H)2	C(CHHN)(NCC)(H)2	N(CCCH)(CCHH)2(H)	C(CHHN)(NCCH)(H)2	C(CHHN)(NCC)(H)2	N(CCCH)(CCHH)2(H)	110.0720	0.000	1	110.0720	0.000	1	113.1209	3.613	207	113.0586	3.594	221	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHN)(NCCH)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(CH3)2(H)	C(CHHN)(NCCH)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(CH3)2(H)	111.9051	1.354	7	111.9051	1.832	7	113.1209	3.613	207	113.0586	3.594	221	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHN)(NCCH)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)2(CH3)(H)	C(CHHN)(NCCH)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)2(CH3)(H)	112.0606	2.074	20	112.0606	4.302	20	113.1209	3.613	207	113.0586	3.594	221	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHN)(NCCH)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)2(CHHP)(H)	C(CHHN)(NCCH)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)2(CHHP)(H)	115.9976	1.665	8	115.9976	2.771	8	113.1209	3.613	207	113.0586	3.594	221	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHN)(NCCH)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)3(H)	C(CHHN)(NCCH)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)3(H)	112.0568	1.556	47	112.0568	2.422	47	113.1209	3.613	207	113.0586	3.594	221	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHN)(NCCH)(H)2	C(CHHN)(NCC)(H)2	N(CC[6]HH)(CCHH)(CH3)(H)	C(CHHN)(NCCH)(H)2	C(CHHN)(NCC)(H)2	N(CC[6]HH)(CCHH)(CH3)(H)	112.4790	0.338	2	112.4790	0.114	2	113.1209	3.613	207	113.0586	3.594	221	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHN)(NCCH)(H)2	C(CHHN)(NCC)(H)2	N(CC[6]HH)(CCHH)2(H)	C(CHHN)(NCCH)(H)2	C(CHHN)(NCC)(H)2	N(CC[6]HH)(CCHH)2(H)	112.4460	1.185	4	112.4460	1.405	4	113.1209	3.613	207	113.0586	3.594	221	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHN)(NCCH)(H)2	C(CHHN)(NCC)(H)2	N(CC[6a]HH)(CCHH)(CH3)(H)	C(CHHN)(NCCH)(H)2	C(CHHN)(NCC)(H)2	N(CC[6a]HH)(CCHH)(CH3)(H)	115.1830	0.000	1	115.1830	0.000	1	113.1209	3.613	207	113.0586	3.594	221	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHN)(NCCH)(H)2	C(CHHN)(NCC)(H)2	N(CC[6a]HH)(CCHH)2(H)	C(CHHN)(NCCH)(H)2	C(CHHN)(NCC)(H)2	N(CC[6a]HH)(CCHH)2(H)	112.2536	1.231	10	112.2536	1.515	10	113.1209	3.613	207	113.0586	3.594	221	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHN)(NCCH)(H)2	C(CHHN)(NCC)(H)2	N(CC[6a]HH)2(CCHH)(H)	C(CHHN)(NCCH)(H)2	C(CHHN)(NCC)(H)2	N(CC[6a]HH)2(CCHH)(H)	112.5010	2.458	4	112.5010	6.043	4	113.1209	3.613	207	113.0586	3.594	221	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHN)(NCCH)(H)2	C(CHHN)(NCH)(H)2	N(CCCH)2(CCHH)(H)	C(CHHN)(NCCH)(H)2	C(CHHN)(NCH)(H)2	N(CCCH)2(CCHH)(H)	113.2343	0.613	3	113.2343	0.376	3	113.1209	3.613	207	113.0586	3.594	221	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHN)(NCCH)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)(CH3)2(H)	C(CHHN)(NCCH)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)(CH3)2(H)	114.2957	1.003	3	114.2957	1.007	3	113.1209	3.613	207	113.0586	3.594	221	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHN)(NCCH)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)2(CH3)(H)	C(CHHN)(NCCH)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)2(CH3)(H)	113.1266	1.410	10	113.1266	1.987	10	113.1209	3.613	207	113.0586	3.594	221	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHN)(NCCH)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)3(H)	C(CHHN)(NCCH)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)3(H)	113.8220	1.430	61	113.8220	2.046	61	113.1209	3.613	207	113.0586	3.594	221	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHN)(NCCH)(H)2	C(CHHN)(NCN)(H)2	N(CCHH)3(H)	C(CHHN)(NCCH)(H)2	C(CHHN)(NCN)(H)2	N(CCHH)3(H)	115.8273	0.212	3	115.8273	0.045	3	113.1209	3.613	207	113.0586	3.594	221	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHN)(NCCH)(H)2	C(CHHN)(NCuC)(H)2	N(CCHH)(CH3)2(H)	C(CHHN)(NCCH)(H)2	C(CHHN)(NCuC)(H)2	N(CCHH)(CH3)2(H)	113.5130	0.000	1	113.5130	0.000	1	113.1209	3.613	207	113.0586	3.594	221	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHN)(NCCH)(H)2	C(CHHN)(NCuC)(H)2	N(CCHH)3(H)	C(CHHN)(NCCH)(H)2	C(CHHN)(NCuC)(H)2	N(CCHH)3(H)	114.8460	0.000	1	114.8460	0.000	1	113.1209	3.613	207	113.0586	3.594	221	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHN)(NCCH)(H)2	C(CHHN)(NFeC)(H)2	N(CCCH)2(CCHH)(H)	C(CHHN)(NCCH)(H)2	C(CHHN)(NFeC)(H)2	N(CCCH)2(CCHH)(H)	114.2013	0.376	3	114.2013	0.141	3	113.1209	3.613	207	113.0586	3.594	221	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHN)(NCCH)(H)2	C(CHHN)(NFeC)(H)2	N(CCHH)3(H)	C(CHHN)(NCCH)(H)2	C(CHHN)(NFeC)(H)2	N(CCHH)3(H)	111.5455	0.046	2	111.5455	0.002	2	113.1209	3.613	207	113.0586	3.594	221	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHN)(NCCH)(H)2	C(CHHN)(NHH)(H)2	N(CCHH)(CH3)2(H)	C(CHHN)(NCCH)(H)2	C(CHHN)(NHH)(H)2	N(CCHH)(CH3)2(H)	110.1790	0.000	1	110.1790	0.000	1	113.1209	3.613	207	113.0586	3.594	221	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHN)(NCCH)(H)2	C(CHHN)(NNiC)(H)2	N(CCHH)3(H)	C(CHHN)(NCCH)(H)2	C(CHHN)(NNiC)(H)2	N(CCHH)3(H)	114.7300	0.000	1	114.7300	0.000	1	113.1209	3.613	207	113.0586	3.594	221	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHN)(NCCH)(H)2	C(CHHN)(NZnC)(H)2	N(CCCH)2(CCHH)(H)	C(CHHN)(NCCH)(H)2	C(CHHN)(NZnC)(H)2	N(CCCH)2(CCHH)(H)	114.9600	0.000	1	114.9600	0.000	1	113.1209	3.613	207	113.0586	3.594	221	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHN)(NCCH)(H)2	C(CHHN)(NZnC)(H)2	N(CCHH)(CH3)2(H)	C(CHHN)(NCCH)(H)2	C(CHHN)(NZnC)(H)2	N(CCHH)(CH3)2(H)	114.1999	0.484	7	114.1999	0.235	7	113.1209	3.613	207	113.0586	3.594	221	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHN)(NCCH)(H)2	C(CHHN)(NZnC)(H)2	N(CCHH)3(H)	C(CHHN)(NCCH)(H)2	C(CHHN)(NZnC)(H)2	N(CCHH)3(H)	115.2246	3.234	5	115.2246	10.460	5	113.1209	3.613	207	113.0586	3.594	221	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:O-1:	C(CHHN)(NCCO)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)(CH3)2(O)	C(CHHN)(NCCO)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)(CH3)2(O)	112.9090	0.000	1	112.9090	0.000	1	112.9090	0.000	1	113.0586	3.594	221	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHS)(NCCH)(H)2	C(CHHN)(SFe2)(H)2	N(CCHH)3(H)	C(CHHS)(NCCH)(H)2	C(CHHN)(SFe2)(H)2	N(CCHH)3(H)	109.9110	0.993	2	109.9110	0.986	2	109.9110	0.986	2	113.0586	3.594	221	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:4:1:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:Ge-1:	C(NGeCC)(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)2(CH3)(Ge)	C(NGeCC)(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)2(CH3)(Ge)	109.9500	0.281	2	109.9500	0.079	2	109.9500	0.079	2	113.0586	3.594	221	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(NC3)(H)2	C(CHHN)(CCH)(H)2	N(CCHH)(CHHI)(CH3)2	C(CCHH)(NC3)(H)2	C(CHHN)(CCH)(H)2	N(CCHH)(CHHI)(CH3)2	114.2250	0.000	1	114.2250	0.000	1	114.6548	3.051	8	115.1573	7.491	41	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(NC3)(H)2	C(CHHN)(CCH)(H)2	N(CCHH)4	C(CCHH)(NC3)(H)2	C(CHHN)(CCH)(H)2	N(CCHH)4	115.4053	2.864	3	115.4053	8.204	3	114.6548	3.051	8	115.1573	7.491	41	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(NC3)(H)2	C(CHHN)(CHH)(H)2	N(CCHH)4	C(CCHH)(NC3)(H)2	C(CHHN)(CHH)(H)2	N(CCHH)4	115.2670	0.000	1	115.2670	0.000	1	114.6548	3.051	8	115.1573	7.491	41	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(NC3)(H)2	C(CHHN)(CNO)(H)2	N(CCHH)(CH3)3	C(CCHH)(NC3)(H)2	C(CHHN)(CNO)(H)2	N(CCHH)(CH3)3	113.8433	0.603	3	113.8433	0.364	3	114.6548	3.051	8	115.1573	7.491	41	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CHHN)(NC3)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(CH3)3	C(CHHN)(NC3)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(CH3)3	115.2592	2.256	4	115.2592	5.091	4	116.1747	4.504	26	115.1573	7.491	41	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CHHN)(NC3)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)2(CH3)2	C(CHHN)(NC3)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)2(CH3)2	117.1240	0.000	1	117.1240	0.000	1	116.1747	4.504	26	115.1573	7.491	41	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CHHN)(NC3)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)4	C(CHHN)(NC3)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)4	114.3942	0.925	4	114.3942	0.856	4	116.1747	4.504	26	115.1573	7.491	41	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CHHN)(NC3)(H)2	C(CHHN)(NCC)(H)2	N(CC[6a]HH)(CCHH)3	C(CHHN)(NC3)(H)2	C(CHHN)(NCC)(H)2	N(CC[6a]HH)(CCHH)3	115.8820	0.232	3	115.8820	0.054	3	116.1747	4.504	26	115.1573	7.491	41	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CHHN)(NC3)(H)2	C(CHHN)(NCC)(H)2	N(CC[6a]HH)(CC[6]HH)(CCHH)(CH3)	C(CHHN)(NC3)(H)2	C(CHHN)(NCC)(H)2	N(CC[6a]HH)(CC[6]HH)(CCHH)(CH3)	116.7090	0.000	1	116.7090	0.000	1	116.1747	4.504	26	115.1573	7.491	41	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CHHN)(NC3)(H)2	C(CHHN)(NCC)(H)2	N(CClHH)(CCHH)(CH3)2	C(CHHN)(NC3)(H)2	C(CHHN)(NCC)(H)2	N(CClHH)(CCHH)(CH3)2	112.7400	0.000	1	112.7400	0.000	1	116.1747	4.504	26	115.1573	7.491	41	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CHHN)(NC3)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)(CH3)3	C(CHHN)(NC3)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)(CH3)3	116.8900	0.228	3	116.8900	0.052	3	116.1747	4.504	26	115.1573	7.491	41	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CHHN)(NC3)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)2(CH3)2	C(CHHN)(NC3)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)2(CH3)2	115.8717	0.885	6	115.8717	0.782	6	116.1747	4.504	26	115.1573	7.491	41	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CHHN)(NC3)(H)2	C(CHHN)(NFeC)(H)2	N(CCHH)3(CH3)	C(CHHN)(NC3)(H)2	C(CHHN)(NFeC)(H)2	N(CCHH)3(CH3)	120.6030	0.472	3	120.6030	0.222	3	116.1747	4.504	26	115.1573	7.491	41	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CHHO)(NC3)(H)2	C(CHHN)(OZnH)(H)2	N(CCHH)(CH3)3	C(CHHO)(NC3)(H)2	C(CHHN)(OZnH)(H)2	N(CCHH)(CH3)3	117.3950	0.000	1	117.3950	0.000	1	117.3950	0.000	1	115.1573	7.491	41	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:4:4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	Ga-4:C-4:C-4:C-4:	C(NGaCC)(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(GaCl2O)(CCHH)(CH3)2	C(NGaCC)(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(GaCl2O)(CCHH)(CH3)2	109.2725	0.103	2	109.2725	0.011	2	109.2113	0.016	3	115.1573	7.491	41	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:4:4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	Ga-4:C-4:C-4:C-4:	C(NGaCC)(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(GaClOO)(CCHH)(CH3)2	C(NGaCC)(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(GaClOO)(CCHH)(CH3)2	109.0890	0.000	1	109.0890	0.000	1	109.2113	0.016	3	115.1573	7.491	41	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:4:4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	In-4:C-4:C-4:C-4:	C(NInCC)(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(InBr2In)(CCHH)(CH3)2	C(NInCC)(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(InBr2In)(CCHH)(CH3)2	113.8470	2.120	2	113.8470	4.494	2	113.8470	4.494	2	115.1573	7.491	41	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	4:4:4:4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	In[5]-4:C-4:C-4:C-4:	C(NIn[5]CC)(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(In[5]N[5]O[5]I)(CCHH)(CH3)2	C(NIn[5]CC)(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(In[5]N[5]O[5]I)(CCHH)(CH3)2	110.9460	0.000	1	110.9460	0.000	1	110.9460	0.000	1	115.1573	7.491	41	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:1:1:	5:4:4:4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	In[5]-5:C-4:C-4:C-4:	C(NIn[5]CC)(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(In[5]N[5]O[5]Cl2)(CCHH)(CH3)2	C(NIn[5]CC)(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(In[5]N[5]O[5]Cl2)(CCHH)(CH3)2	111.4950	0.000	1	111.4950	0.000	1	111.4950	0.000	1	111.4950	0.000	1	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:2:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(NH3)(H)2	C(CHHN)(COO)(OH)(H)	N(CCHH)(H)3	C(CCHO)(NH3)(H)2	C(CHHN)(COO)(OH)(H)	N(CCHH)(H)3	109.0310	0.000	1	109.0310	0.000	1	109.0310	0.000	1	109.0310	0.000	1	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:3:4:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:O-1:O-1:O-1:	C(CC[6a]C[5]H)(NO3)(H)2	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CHHN)(H)	N(CCHH)(O)3	C(CC[6a]C[5]H)(NO3)(H)2	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CHHN)(H)	N(CCHH)(O)3	109.3910	0.000	1	109.3910	0.000	1	109.3910	0.000	1	109.3910	0.000	1	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CCHH)(NCHH)(H)2	C(CHHN)2(H)2	N(CC[6a]H)(CCHH)(H)2	C(CCHH)(NCHH)(H)2	C(CHHN)2(H)2	N(CC[6a]H)(CCHH)(H)2	113.2540	0.000	1	113.2540	0.000	1	113.2540	0.000	1	111.7674	2.625	7	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	3:4:1:1:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(NC[6a]HH)(CCHH)(H)2	C(CHHN)(CHHO)(H)2	N(C[6a]C[6a]2)(CCHH)(H)2	C(NC[6a]HH)(CCHH)(H)2	C(CHHN)(CHHO)(H)2	N(C[6a]C[6a]2)(CCHH)(H)2	111.3225	0.254	2	111.3225	0.064	2	111.3225	0.064	2	111.7674	2.625	7	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	3:4:1:1:	N-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(NC[6a]HH)(CHHN)(H)2	C(CHHN)(NH3)(H)2	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C(NC[6a]HH)(CHHN)(H)2	C(CHHN)(NH3)(H)2	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	113.4200	0.041	2	113.4200	0.002	2	113.4200	0.002	2	111.7674	2.625	7	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	3:4:1:1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(NC[6a]HH)(CHHN)(H)2	C(NC[6a]HH)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(H)2	C(NC[6a]HH)(CHHN)(H)2	C(NC[6a]HH)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(H)2	109.8165	0.063	2	109.8165	0.004	2	109.8165	0.004	2	111.7674	2.625	7	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	3:4:4:1:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C(NC[6a]CH)(CCHH)(H)2	C(CHHN)2(H)2	N(C[6a]C[6a,6a]C[6a])(CCHH)2(H)	C(NC[6a]CH)(CCHH)(H)2	C(CHHN)2(H)2	N(C[6a]C[6a,6a]C[6a])(CCHH)2(H)	117.2115	0.510	2	117.2115	0.260	2	117.2115	0.260	2	117.2115	0.260	2	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	3:4:4:4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C(NC[6a]CC)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(CH3)2	C(NC[6a]CC)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(CH3)2	114.4030	0.000	1	114.4030	0.000	1	114.4030	0.000	1	114.4030	0.000	1	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:F-1:F-1:	C-4:H-1:H-1:H-1:	C(CCFF)(NH3)(H)2	C(CCHH)(CHHN)(F)2	N(CCHH)(H)3	C(CCFF)(NH3)(H)2	C(CCHH)(CHHN)(F)2	N(CCHH)(H)3	111.3380	0.000	1	111.3380	0.000	1	111.3380	0.000	1	111.6240	4.827	1292	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:D-1:D-1:D-1:	C(CCHH)(ND3)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(D)3	C(CCHH)(ND3)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(D)3	109.7650	0.000	1	109.7650	0.000	1	110.9760	2.933	2	111.6240	4.827	1292	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:D-1:D-1:D-1:	C(CCHH)(ND3)(H)2	C(CHHN)(CHHO)(H)2	N(CCHH)(D)3	C(CCHH)(ND3)(H)2	C(CHHN)(CHHO)(H)2	N(CCHH)(D)3	112.1870	0.000	1	112.1870	0.000	1	110.9760	2.933	2	111.6240	4.827	1292	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NH3)(H)2	C(CBrCH)(CHHN)(H)2	N(CCHH)(H)3	C(CCHH)(NH3)(H)2	C(CBrCH)(CHHN)(H)2	N(CCHH)(H)3	114.6975	3.400	2	114.6975	11.563	2	111.6370	3.719	749	111.6240	4.827	1292	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NH3)(H)2	C(CCCF)(CHHN)(H)2	N(CCHH)(H)3	C(CCHH)(NH3)(H)2	C(CCCF)(CHHN)(H)2	N(CCHH)(H)3	109.4510	0.000	1	109.4510	0.000	1	111.6370	3.719	749	111.6240	4.827	1292	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NH3)(H)2	C(CCCH)(CHHN)(H)2	N(CCHH)(H)3	C(CCHH)(NH3)(H)2	C(CCCH)(CHHN)(H)2	N(CCHH)(H)3	114.6120	2.734	2	114.6120	7.473	2	111.6370	3.719	749	111.6240	4.827	1292	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NH3)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(H)3	C(CCHH)(NH3)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(H)3	111.7165	1.906	493	111.7165	3.633	493	111.6370	3.719	749	111.6240	4.827	1292	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NH3)(H)2	C(CCHO)(CHHN)(H)2	N(CCHH)(H)3	C(CCHH)(NH3)(H)2	C(CCHO)(CHHN)(H)2	N(CCHH)(H)3	110.8750	0.000	1	110.8750	0.000	1	111.6370	3.719	749	111.6240	4.827	1292	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NH3)(H)2	C(CC[3x3,3x5,12x6]HH)(CHHN)(H)2	N(CCHH)(H)3	C(CCHH)(NH3)(H)2	C(CC[3x3,3x5,12x6]HH)(CHHN)(H)2	N(CCHH)(H)3	113.0810	0.000	1	113.0810	0.000	1	111.6370	3.719	749	111.6240	4.827	1292	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NH3)(H)2	C(CC[6a]HH)(CHHN)(H)2	N(CCHH)(H)3	C(CCHH)(NH3)(H)2	C(CC[6a]HH)(CHHN)(H)2	N(CCHH)(H)3	110.9701	1.324	10	110.9701	1.754	10	111.6370	3.719	749	111.6240	4.827	1292	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NH3)(H)2	C(CClCH)(CHHN)(H)2	N(CCHH)(H)3	C(CCHH)(NH3)(H)2	C(CClCH)(CHHN)(H)2	N(CCHH)(H)3	111.1875	0.207	2	111.1875	0.043	2	111.6370	3.719	749	111.6240	4.827	1292	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NH3)(H)2	C(CHHI)(CHHN)(H)2	N(CCHH)(H)3	C(CCHH)(NH3)(H)2	C(CHHI)(CHHN)(H)2	N(CCHH)(H)3	110.6167	1.062	3	110.6167	1.127	3	111.6370	3.719	749	111.6240	4.827	1292	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NH3)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)(H)3	C(CCHH)(NH3)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)(H)3	111.8371	3.426	29	111.8371	11.741	29	111.6370	3.719	749	111.6240	4.827	1292	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NH3)(H)2	C(CHHN)(CHHO)(H)2	N(CCHH)(H)3	C(CCHH)(NH3)(H)2	C(CHHN)(CHHO)(H)2	N(CCHH)(H)3	111.3173	1.208	8	111.3173	1.460	8	111.6370	3.719	749	111.6240	4.827	1292	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NH3)(H)2	C(CHHN)(CHHS)(H)2	N(CCHH)(H)3	C(CCHH)(NH3)(H)2	C(CHHN)(CHHS)(H)2	N(CCHH)(H)3	111.4750	0.000	1	111.4750	0.000	1	111.6370	3.719	749	111.6240	4.827	1292	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NH3)(H)2	C(CHHN)(CN3)(H)2	N(CCHH)(H)3	C(CCHH)(NH3)(H)2	C(CHHN)(CN3)(H)2	N(CCHH)(H)3	109.2177	1.380	4	109.2177	1.903	4	111.6370	3.719	749	111.6240	4.827	1292	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NH3)(H)2	C(CHHN)(COPP)(H)2	N(CCHH)(H)3	C(CCHH)(NH3)(H)2	C(CHHN)(COPP)(H)2	N(CCHH)(H)3	108.3535	0.332	2	108.3535	0.110	2	111.6370	3.719	749	111.6240	4.827	1292	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NH3)(H)2	C(CHHN)2(H)2	N(CCHH)(H)3	C(CCHH)(NH3)(H)2	C(CHHN)2(H)2	N(CCHH)(H)3	111.5252	1.668	165	111.5252	2.781	165	111.6370	3.719	749	111.6240	4.827	1292	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NH3)(H)2	C(CN[5]HH)(CHHN)(H)2	N(CCHH)(H)3	C(CCHH)(NH3)(H)2	C(CN[5]HH)(CHHN)(H)2	N(CCHH)(H)3	111.3346	1.404	7	111.3346	1.972	7	111.6370	3.719	749	111.6240	4.827	1292	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NH3)(H)2	C(CN[5a]HH)(CHHN)(H)2	N(CCHH)(H)3	C(CCHH)(NH3)(H)2	C(CN[5a]HH)(CHHN)(H)2	N(CCHH)(H)3	112.3645	0.037	2	112.3645	0.001	2	111.6370	3.719	749	111.6240	4.827	1292	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NH3)(H)2	C(CN[6]HH)(CHHN)(H)2	N(CCHH)(H)3	C(CCHH)(NH3)(H)2	C(CN[6]HH)(CHHN)(H)2	N(CCHH)(H)3	111.2089	1.545	16	111.2089	2.387	16	111.6370	3.719	749	111.6240	4.827	1292	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(NH3)(H)2	C(CHHN)(NC3)(H)2	N(CCHH)(H)3	C(CHHN)(NH3)(H)2	C(CHHN)(NC3)(H)2	N(CCHH)(H)3	109.3670	0.000	1	109.3670	0.000	1	111.5410	6.348	507	111.6240	4.827	1292	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(NH3)(H)2	C(CHHN)(NCCH)(H)2	N(CCHH)(H)3	C(CHHN)(NH3)(H)2	C(CHHN)(NCCH)(H)2	N(CCHH)(H)3	111.2085	2.540	26	111.2085	6.452	26	111.5410	6.348	507	111.6240	4.827	1292	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(NH3)(H)2	C(CHHN)(NCHH)(H)2	N(CCHH)(H)3	C(CHHN)(NH3)(H)2	C(CHHN)(NCHH)(H)2	N(CCHH)(H)3	111.7866	2.305	91	111.7866	5.314	91	111.5410	6.348	507	111.6240	4.827	1292	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(NH3)(H)2	C(CHHN)(NH3)(H)2	N(CCHH)(H)3	C(CHHN)(NH3)(H)2	C(CHHN)(NH3)(H)2	N(CCHH)(H)3	111.5113	2.568	389	111.5113	6.595	389	111.5410	6.348	507	111.6240	4.827	1292	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)(NH3)(H)2	C(CHHN)(PC3)(H)2	N(CCHH)(H)3	C(CHHP)(NH3)(H)2	C(CHHN)(PC3)(H)2	N(CCHH)(H)3	113.1820	1.363	2	113.1820	1.859	2	113.1820	1.859	2	111.6240	4.827	1292	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)(NH3)(H)2	C(CHHN)(SO3)(H)2	N(CCHH)(H)3	C(CHHS)(NH3)(H)2	C(CHHN)(SO3)(H)2	N(CCHH)(H)3	112.2993	0.316	4	112.2993	0.100	4	112.2993	0.100	4	111.6240	4.827	1292	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(NH3)(H)2	C(C[5]C[5]N[5]H)(CHHN)(H)2	N(CCHH)(H)3	C(CC[5]HH)(NH3)(H)2	C(C[5]C[5]N[5]H)(CHHN)(H)2	N(CCHH)(H)3	115.3815	4.343	4	115.3815	18.861	4	115.3815	18.861	4	111.6240	4.827	1292	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(NH3)(H)2	C(NC[6a]HH)(CHHN)(H)2	N(CCHH)(H)3	C(CHHN)(NH3)(H)2	C(NC[6a]HH)(CHHN)(H)2	N(CCHH)(H)3	113.9745	0.856	2	113.9745	0.733	2	111.9645	5.622	6	111.6240	4.827	1292	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(NH3)(H)2	C(NCuCH)(CHHN)(H)2	N(CCHH)(H)3	C(CHHN)(NH3)(H)2	C(NCuCH)(CHHN)(H)2	N(CCHH)(H)3	112.9880	0.000	1	112.9880	0.000	1	111.9645	5.622	6	111.6240	4.827	1292	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(NH3)(H)2	C(NMoHH)(CHHN)(H)2	N(CCHH)(H)3	C(CHHN)(NH3)(H)2	C(NMoHH)(CHHN)(H)2	N(CCHH)(H)3	112.2540	0.000	1	112.2540	0.000	1	111.9645	5.622	6	111.6240	4.827	1292	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(NH3)(H)2	C(NNiCC)(CHHN)(H)2	N(CCHH)(H)3	C(CHHN)(NH3)(H)2	C(NNiCC)(CHHN)(H)2	N(CCHH)(H)3	110.7020	0.000	1	110.7020	0.000	1	111.9645	5.622	6	111.6240	4.827	1292	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(NH3)(H)2	C(NReCC)(CHHN)(H)2	N(CCHH)(H)3	C(CHHN)(NH3)(H)2	C(NReCC)(CHHN)(H)2	N(CCHH)(H)3	107.8940	0.000	1	107.8940	0.000	1	111.9645	5.622	6	111.6240	4.827	1292	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	N[5,5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5,5]HH)(NH3)(H)2	C(N[5,5]Ga[4x5]C[5]2)(CHHN)(H)2	N(CCHH)(H)3	C(CN[5,5]HH)(NH3)(H)2	C(N[5,5]Ga[4x5]C[5]2)(CHHN)(H)2	N(CCHH)(H)3	111.1050	0.000	1	111.1050	0.000	1	111.1050	0.000	1	111.6240	4.827	1292	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[6]HH)(NH3)(H)2	C(N[6]C[6]2H)(CHHN)(H)2	N(CCHH)(H)3	C(CN[6]HH)(NH3)(H)2	C(N[6]C[6]2H)(CHHN)(H)2	N(CCHH)(H)3	112.5534	2.201	14	112.5534	4.844	14	112.5534	4.844	14	111.6240	4.827	1292	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	S-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)(NH3)(H)2	C(SFe2H)(CHHN)(H)2	N(CCHH)(H)3	C(CHHS)(NH3)(H)2	C(SFe2H)(CHHN)(H)2	N(CCHH)(H)3	110.9290	1.872	2	110.9290	3.506	2	110.9290	3.506	2	111.6240	4.827	1292	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(NHHO)(H)2	C(CHHN)2(H)2	N(CCHH)(OC)(H)2	C(CCHH)(NHHO)(H)2	C(CHHN)2(H)2	N(CCHH)(OC)(H)2	110.5495	2.124	4	110.5495	4.512	4	110.5495	4.512	4	111.2264	6.077	7	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C(CHHN)(NCHH)(H)2	C(CHHN)(NH3)(H)2	N(CCHH)(CC)(H)2	C(CHHN)(NCHH)(H)2	C(CHHN)(NH3)(H)2	N(CCHH)(CC)(H)2	108.6080	0.000	1	108.6080	0.000	1	108.6080	0.000	1	111.2264	6.077	7	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHN)(NHHO)(H)2	C(CHHN)(NHHO)(H)2	N(CCHH)(OC)(H)2	C(CHHN)(NHHO)(H)2	C(CHHN)(NHHO)(H)2	N(CCHH)(OC)(H)2	113.8895	0.231	2	113.8895	0.053	2	113.8895	0.053	2	111.2264	6.077	7	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CHHN)(NCHH)(H)2	C(CHHN)(NH3)(H)2	N(CCHH)(CCH)(H)2	C(CHHN)(NCHH)(H)2	C(CHHN)(NH3)(H)2	N(CCHH)(CCH)(H)2	111.2705	1.422	2	111.2705	2.022	2	111.2705	2.022	2	111.2705	2.022	2	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:F-1:H-1:	C-4:C-4:H-1:H-1:	C(CCFH)(NCHH)(H)2	C(CHHN)2(F)(H)	N(CCHH)2(H)2	C(CCFH)(NCHH)(H)2	C(CHHN)2(F)(H)	N(CCHH)2(H)2	113.9275	0.511	2	113.9275	0.261	2	113.9275	0.261	2	112.0730	4.757	766	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:B-4:H-1:H-1:	C(CCHH)(NBHH)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)(BH3)(H)2	C(CCHH)(NBHH)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)(BH3)(H)2	113.5920	0.000	1	113.5920	0.000	1	113.5920	0.000	1	112.0730	4.757	766	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(NCHH)(H)2	C(CCFF)(CHHN)(H)2	N(CCHH)2(H)2	C(CCHH)(NCHH)(H)2	C(CCFF)(CHHN)(H)2	N(CCHH)2(H)2	118.5440	4.813	2	118.5440	23.161	2	112.4588	3.653	286	112.0730	4.757	766	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(NCHH)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CC3)(H)2	C(CCHH)(NCHH)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CC3)(H)2	112.2480	0.000	1	112.2480	0.000	1	112.4588	3.653	286	112.0730	4.757	766	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(NCHH)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CH3)(H)2	C(CCHH)(NCHH)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CH3)(H)2	113.6550	0.000	1	113.6550	0.000	1	112.4588	3.653	286	112.0730	4.757	766	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(NCHH)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CHPP)(H)2	C(CCHH)(NCHH)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CHPP)(H)2	111.9567	0.443	3	111.9567	0.196	3	112.4588	3.653	286	112.0730	4.757	766	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(NCHH)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)2(H)2	C(CCHH)(NCHH)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)2(H)2	112.7286	2.058	74	112.7286	4.235	74	112.4588	3.653	286	112.0730	4.757	766	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(NCHH)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]2H)(CCHH)(H)2	C(CCHH)(NCHH)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]2H)(CCHH)(H)2	114.6400	0.000	1	114.6400	0.000	1	112.4588	3.653	286	112.0730	4.757	766	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(NCHH)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]HH)(CCHH)(H)2	C(CCHH)(NCHH)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]HH)(CCHH)(H)2	112.2603	0.764	7	112.2603	0.583	7	112.4588	3.653	286	112.0730	4.757	766	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(NCHH)(H)2	C(CC[5]HH)(CHHN)(H)2	N(CC[6a]HH)(CCHH)(H)2	C(CCHH)(NCHH)(H)2	C(CC[5]HH)(CHHN)(H)2	N(CC[6a]HH)(CCHH)(H)2	112.9480	0.000	1	112.9480	0.000	1	112.4588	3.653	286	112.0730	4.757	766	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(NCHH)(H)2	C(CC[5a]HH)(CHHN)(H)2	N(CCHH)(CH3)(H)2	C(CCHH)(NCHH)(H)2	C(CC[5a]HH)(CHHN)(H)2	N(CCHH)(CH3)(H)2	111.2180	0.000	1	111.2180	0.000	1	112.4588	3.653	286	112.0730	4.757	766	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(NCHH)(H)2	C(CC[6a]HO)(CHHN)(H)2	N(CCHH)(CH3)(H)2	C(CCHH)(NCHH)(H)2	C(CC[6a]HO)(CHHN)(H)2	N(CCHH)(CH3)(H)2	111.2090	0.828	3	111.2090	0.686	3	112.4588	3.653	286	112.0730	4.757	766	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(NCHH)(H)2	C(CHHN)(CC3)(H)2	N(CCCH)(CCHH)(H)2	C(CCHH)(NCHH)(H)2	C(CHHN)(CC3)(H)2	N(CCCH)(CCHH)(H)2	111.2135	2.153	2	111.2135	4.636	2	112.4588	3.653	286	112.0730	4.757	766	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(NCHH)(H)2	C(CHHN)(CC3)(H)2	N(CCHH)2(H)2	C(CCHH)(NCHH)(H)2	C(CHHN)(CC3)(H)2	N(CCHH)2(H)2	111.7830	0.000	1	111.7830	0.000	1	112.4588	3.653	286	112.0730	4.757	766	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(NCHH)(H)2	C(CHHN)(CH3)(H)2	N(CCCH)(CCHH)(H)2	C(CCHH)(NCHH)(H)2	C(CHHN)(CH3)(H)2	N(CCCH)(CCHH)(H)2	110.2920	1.341	2	110.2920	1.797	2	112.4588	3.653	286	112.0730	4.757	766	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(NCHH)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)2(H)2	C(CCHH)(NCHH)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)2(H)2	111.9551	1.298	17	111.9551	1.685	17	112.4588	3.653	286	112.0730	4.757	766	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(NCHH)(H)2	C(CHHN)(CH3)(H)2	N(CC[6]HH)(CCHH)(H)2	C(CCHH)(NCHH)(H)2	C(CHHN)(CH3)(H)2	N(CC[6]HH)(CCHH)(H)2	112.1920	0.260	2	112.1920	0.068	2	112.4588	3.653	286	112.0730	4.757	766	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(NCHH)(H)2	C(CHHN)(CH3)(H)2	N(CC[6a]HH)(CCHH)(H)2	C(CCHH)(NCHH)(H)2	C(CHHN)(CH3)(H)2	N(CC[6a]HH)(CCHH)(H)2	111.9035	1.966	4	111.9035	3.866	4	112.4588	3.653	286	112.0730	4.757	766	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(NCHH)(H)2	C(CHHN)(CHHO)(H)2	N(CCHH)(CH3)(H)2	C(CCHH)(NCHH)(H)2	C(CHHN)(CHHO)(H)2	N(CCHH)(CH3)(H)2	111.2300	0.000	1	111.2300	0.000	1	112.4588	3.653	286	112.0730	4.757	766	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(NCHH)(H)2	C(CHHN)(CHHO)(H)2	N(CC[6]HH)(CCHH)(H)2	C(CCHH)(NCHH)(H)2	C(CHHN)(CHHO)(H)2	N(CC[6]HH)(CCHH)(H)2	115.7540	0.000	1	115.7540	0.000	1	112.4588	3.653	286	112.0730	4.757	766	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(NCHH)(H)2	C(CHHN)2(H)2	N(CCHH)(CH3)(H)2	C(CCHH)(NCHH)(H)2	C(CHHN)2(H)2	N(CCHH)(CH3)(H)2	111.6053	1.321	18	111.6053	1.746	18	112.4588	3.653	286	112.0730	4.757	766	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(NCHH)(H)2	C(CHHN)2(H)2	N(CCHH)2(H)2	C(CCHH)(NCHH)(H)2	C(CHHN)2(H)2	N(CCHH)2(H)2	112.7710	1.713	108	112.7710	2.935	108	112.4588	3.653	286	112.0730	4.757	766	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(NCHH)(H)2	C(CHHN)2(H)2	N(CC[6a]HH)(CCHH)(H)2	C(CCHH)(NCHH)(H)2	C(CHHN)2(H)2	N(CC[6a]HH)(CCHH)(H)2	111.3200	2.007	27	111.3200	4.030	27	112.4588	3.653	286	112.0730	4.757	766	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(NCHH)(H)2	C(CHHN)2(H)2	N(CC[6a]PtH)(CCHH)(H)2	C(CCHH)(NCHH)(H)2	C(CHHN)2(H)2	N(CC[6a]PtH)(CCHH)(H)2	115.0740	0.000	1	115.0740	0.000	1	112.4588	3.653	286	112.0730	4.757	766	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(NCHH)(H)2	C(CN[5a]HH)(CHHN)(H)2	N(CC[6a]HH)(CCHH)(H)2	C(CCHH)(NCHH)(H)2	C(CN[5a]HH)(CHHN)(H)2	N(CC[6a]HH)(CCHH)(H)2	111.7754	1.113	5	111.7754	1.239	5	112.4588	3.653	286	112.0730	4.757	766	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(NCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	N(CCHH)2(H)2	C(CCHH)(NCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	N(CCHH)2(H)2	112.1545	2.405	2	112.1545	5.783	2	112.4588	3.653	286	112.0730	4.757	766	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(NCHH)(H)2	C(CSiHH)(CHHN)(H)2	N(CCHH)2(H)2	C(CCHH)(NCHH)(H)2	C(CSiHH)(CHHN)(H)2	N(CCHH)2(H)2	115.1010	0.000	1	115.1010	0.000	1	112.4588	3.653	286	112.0730	4.757	766	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CHHN)(NCHH)(H)2	C(CHHN)(NCCH)(H)2	N(CCHH)(CH3)(H)2	C(CHHN)(NCHH)(H)2	C(CHHN)(NCCH)(H)2	N(CCHH)(CH3)(H)2	112.3515	2.799	2	112.3515	7.837	2	111.8533	5.429	440	112.0730	4.757	766	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CHHN)(NCHH)(H)2	C(CHHN)(NCCH)(H)2	N(CCHH)2(H)2	C(CHHN)(NCHH)(H)2	C(CHHN)(NCCH)(H)2	N(CCHH)2(H)2	110.2587	1.137	3	110.2587	1.293	3	111.8533	5.429	440	112.0730	4.757	766	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CHHN)(NCHH)(H)2	C(CHHN)(NCCH)(H)2	N(CC[5a]HH)(CCHH)(H)2	C(CHHN)(NCHH)(H)2	C(CHHN)(NCCH)(H)2	N(CC[5a]HH)(CCHH)(H)2	109.4660	0.000	1	109.4660	0.000	1	111.8533	5.429	440	112.0730	4.757	766	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CHHN)(NCHH)(H)2	C(CHHN)(NCCH)(H)2	N(CC[6a]HH)(CCHH)(H)2	C(CHHN)(NCHH)(H)2	C(CHHN)(NCCH)(H)2	N(CC[6a]HH)(CCHH)(H)2	111.3925	1.734	46	111.3925	3.005	46	111.8533	5.429	440	112.0730	4.757	766	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CHHN)(NCHH)(H)2	C(CHHN)(NCHH)(H)2	N(CCCH)(CCHH)(H)2	C(CHHN)(NCHH)(H)2	C(CHHN)(NCHH)(H)2	N(CCCH)(CCHH)(H)2	110.3435	2.483	11	110.3435	6.165	11	111.8533	5.429	440	112.0730	4.757	766	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CHHN)(NCHH)(H)2	C(CHHN)(NCHH)(H)2	N(CCHH)(CC3)(H)2	C(CHHN)(NCHH)(H)2	C(CHHN)(NCHH)(H)2	N(CCHH)(CC3)(H)2	110.5746	2.234	5	110.5746	4.993	5	111.8533	5.429	440	112.0730	4.757	766	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CHHN)(NCHH)(H)2	C(CHHN)(NCHH)(H)2	N(CCHH)(CH3)(H)2	C(CHHN)(NCHH)(H)2	C(CHHN)(NCHH)(H)2	N(CCHH)(CH3)(H)2	111.3032	2.274	35	111.3032	5.171	35	111.8533	5.429	440	112.0730	4.757	766	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CHHN)(NCHH)(H)2	C(CHHN)(NCHH)(H)2	N(CCHH)2(H)2	C(CHHN)(NCHH)(H)2	C(CHHN)(NCHH)(H)2	N(CCHH)2(H)2	112.6626	2.496	192	112.6626	6.232	192	111.8533	5.429	440	112.0730	4.757	766	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CHHN)(NCHH)(H)2	C(CHHN)(NCHH)(H)2	N(CC[6]HH)(CCHH)(H)2	C(CHHN)(NCHH)(H)2	C(CHHN)(NCHH)(H)2	N(CC[6]HH)(CCHH)(H)2	109.4772	0.646	12	109.4772	0.417	12	111.8533	5.429	440	112.0730	4.757	766	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CHHN)(NCHH)(H)2	C(CHHN)(NCHH)(H)2	N(CC[6a]HH)(CCHH)(H)2	C(CHHN)(NCHH)(H)2	C(CHHN)(NCHH)(H)2	N(CC[6a]HH)(CCHH)(H)2	110.6275	1.882	44	110.6275	3.542	44	111.8533	5.429	440	112.0730	4.757	766	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CHHN)(NCHH)(H)2	C(CHHN)(NH3)(H)2	N(CCHH)(CH3)(H)2	C(CHHN)(NCHH)(H)2	C(CHHN)(NH3)(H)2	N(CCHH)(CH3)(H)2	110.0930	0.965	3	110.0930	0.931	3	111.8533	5.429	440	112.0730	4.757	766	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CHHN)(NCHH)(H)2	C(CHHN)(NH3)(H)2	N(CCHH)2(H)2	C(CHHN)(NCHH)(H)2	C(CHHN)(NH3)(H)2	N(CCHH)2(H)2	111.8764	1.862	86	111.8764	3.468	86	111.8533	5.429	440	112.0730	4.757	766	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CHHS)(NCHH)(H)2	C(CHHN)(SO3)(H)2	N(CCHH)(CH3)(H)2	C(CHHS)(NCHH)(H)2	C(CHHN)(SO3)(H)2	N(CCHH)(CH3)(H)2	110.4400	0.000	1	110.4400	0.000	1	110.9352	0.988	4	112.0730	4.757	766	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CHHS)(NCHH)(H)2	C(CHHN)(SO3)(H)2	N(CC[6a]HH)(CCHH)(H)2	C(CHHS)(NCHH)(H)2	C(CHHN)(SO3)(H)2	N(CC[6a]HH)(CCHH)(H)2	111.1003	1.148	3	111.1003	1.319	3	110.9352	0.988	4	112.0730	4.757	766	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CSiHH)(NCHH)(H)2	C(CHHN)(SiC3)(H)2	N(CCHH)2(H)2	C(CSiHH)(NCHH)(H)2	C(CHHN)(SiC3)(H)2	N(CCHH)2(H)2	112.4920	0.000	1	112.4920	0.000	1	112.4920	0.000	1	112.0730	4.757	766	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[4]HH)(NCHH)(H)2	C(C[4]C[4]2H)(CHHN)(H)2	N(CC[6a]HH)(CCHH)(H)2	C(CC[4]HH)(NCHH)(H)2	C(C[4]C[4]2H)(CHHN)(H)2	N(CC[6a]HH)(CCHH)(H)2	111.8100	0.000	1	111.8100	0.000	1	111.8100	0.000	1	112.0730	4.757	766	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(NCHH)(H)2	C(C[5]C[5,6a]2H)(CHHN)(H)2	N(CCHH)2(H)2	C(CC[5]HH)(NCHH)(H)2	C(C[5]C[5,6a]2H)(CHHN)(H)2	N(CCHH)2(H)2	110.0180	0.000	1	110.0180	0.000	1	111.4945	4.360	2	112.0730	4.757	766	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(NCHH)(H)2	C(C[5]C[5,6a]C[5]N)(CHHN)(H)2	N(CC[6a]CH)(CCHH)(H)2	C(CC[5]HH)(NCHH)(H)2	C(C[5]C[5,6a]C[5]N)(CHHN)(H)2	N(CC[6a]CH)(CCHH)(H)2	112.9710	0.000	1	112.9710	0.000	1	111.4945	4.360	2	112.0730	4.757	766	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CHHN)(NCHH)(H)2	C(NCuCC)(CHHN)(H)2	N(CCHH)(CH3)(H)2	C(CHHN)(NCHH)(H)2	C(NCuCC)(CHHN)(H)2	N(CCHH)(CH3)(H)2	109.6740	0.000	1	109.6740	0.000	1	113.2160	13.690	3	112.0730	4.757	766	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CHHN)(NCHH)(H)2	C(NNiCH)(CHHN)(H)2	N(CCHH)2(H)2	C(CHHN)(NCHH)(H)2	C(NNiCH)(CHHN)(H)2	N(CCHH)2(H)2	112.9180	0.000	1	112.9180	0.000	1	113.2160	13.690	3	112.0730	4.757	766	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CHHN)(NCHH)(H)2	C(NZnHH)(CHHN)(H)2	N(CCHH)2(H)2	C(CHHN)(NCHH)(H)2	C(NZnHH)(CHHN)(H)2	N(CCHH)2(H)2	117.0560	0.000	1	117.0560	0.000	1	113.2160	13.690	3	112.0730	4.757	766	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:1:1:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C(NC[6]HH)(CCHH)(H)2	C(CCHN)(CHHN)(H)2	N(C[6]C[6]2H)(CCHH)(H)2	C(NC[6]HH)(CCHH)(H)2	C(CCHN)(CHHN)(H)2	N(C[6]C[6]2H)(CCHH)(H)2	113.2867	1.494	4	113.2867	2.232	4	111.9298	2.849	21	112.0730	4.757	766	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:1:1:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C(NC[6]HH)(CCHH)(H)2	C(CHHN)(CH3)(H)2	N(C[6]C[6,6a]2C[6a])(CCHH)(H)2	C(NC[6]HH)(CCHH)(H)2	C(CHHN)(CH3)(H)2	N(C[6]C[6,6a]2C[6a])(CCHH)(H)2	111.1900	0.000	1	111.1900	0.000	1	111.9298	2.849	21	112.0730	4.757	766	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:1:1:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C(NC[6]HH)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	N(C[6]C[6]2H)(CCHH)(H)2	C(NC[6]HH)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	N(C[6]C[6]2H)(CCHH)(H)2	107.8750	0.191	2	107.8750	0.036	2	111.9298	2.849	21	112.0730	4.757	766	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:1:1:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C(NC[6]HH)(CCHH)(H)2	C(CHHN)2(H)2	N(C[6]C[6]2H)(CCHH)(H)2	C(NC[6]HH)(CCHH)(H)2	C(CHHN)2(H)2	N(C[6]C[6]2H)(CCHH)(H)2	112.1741	0.814	14	112.1741	0.663	14	111.9298	2.849	21	112.0730	4.757	766	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:1:1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C(NC[5]HH)(CHHN)(H)2	C(NC[5]HH)(CHHN)(H)2	N(C[5]C[5]2H)(CCHH)(H)2	C(NC[5]HH)(CHHN)(H)2	C(NC[5]HH)(CHHN)(H)2	N(C[5]C[5]2H)(CCHH)(H)2	109.1958	0.508	4	109.1958	0.258	4	109.1958	0.258	4	112.0730	4.757	766	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:1:1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C(NC[6]HH)(CHHN)(H)2	C(NC[6]HH)(CHHN)(H)2	N(C[6]C[6]2H)(CCHH)(H)2	C(NC[6]HH)(CHHN)(H)2	C(NC[6]HH)(CHHN)(H)2	N(C[6]C[6]2H)(CCHH)(H)2	109.8070	0.000	1	109.8070	0.000	1	109.8070	0.000	1	112.0730	4.757	766	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:2:2:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-2:C-2:	C(CCHH)(NC3)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)2(CC)2	C(CCHH)(NC3)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)2(CC)2	115.4027	0.626	4	115.4027	0.392	4	115.4027	0.392	4	115.4027	0.392	4	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:3:3:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:C-3:	C(CCHH)(NC3)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)2(CCH)2	C(CCHH)(NC3)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)2(CCH)2	115.6045	0.961	2	115.6045	0.923	2	115.6045	0.923	2	115.6045	0.923	2	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:D-1:	C(CCHH)(NCCD)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)3(D)	C(CCHH)(NCCD)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)3(D)	113.6423	0.665	3	113.6423	0.442	3	113.6423	0.442	3	113.2797	6.196	391	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCHH)(NCCH)(H)2	C(CCCH)(CHHN)(H)2	N(CC[6a]HH)2(CCHH)(H)	C(CCHH)(NCCH)(H)2	C(CCCH)(CHHN)(H)2	N(CC[6a]HH)2(CCHH)(H)	113.9330	0.000	1	113.9330	0.000	1	113.9156	5.093	188	113.2797	6.196	391	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCHH)(NCCH)(H)2	C(CCHH)(CHHN)(H)2	N(CCCH)2(CCHH)(H)	C(CCHH)(NCCH)(H)2	C(CCHH)(CHHN)(H)2	N(CCCH)2(CCHH)(H)	115.2700	0.000	1	115.2700	0.000	1	113.9156	5.093	188	113.2797	6.196	391	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCHH)(NCCH)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CH3)2(H)	C(CCHH)(NCCH)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CH3)2(H)	115.1065	0.192	2	115.1065	0.037	2	113.9156	5.093	188	113.2797	6.196	391	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCHH)(NCCH)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CHHP)2(H)	C(CCHH)(NCCH)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CHHP)2(H)	114.9440	0.000	1	114.9440	0.000	1	113.9156	5.093	188	113.2797	6.196	391	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCHH)(NCCH)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)2(CH3)(H)	C(CCHH)(NCCH)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)2(CH3)(H)	114.4875	0.879	4	114.4875	0.772	4	113.9156	5.093	188	113.2797	6.196	391	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCHH)(NCCH)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)2(CHHN)(H)	C(CCHH)(NCCH)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)2(CHHN)(H)	114.4873	1.274	4	114.4873	1.624	4	113.9156	5.093	188	113.2797	6.196	391	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCHH)(NCCH)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)3(H)	C(CCHH)(NCCH)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)3(H)	114.5746	1.191	33	114.5746	1.418	33	113.9156	5.093	188	113.2797	6.196	391	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCHH)(NCCH)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]HH)2(CCHH)(H)	C(CCHH)(NCCH)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]HH)2(CCHH)(H)	112.9893	1.671	3	112.9893	2.793	3	113.9156	5.093	188	113.2797	6.196	391	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCHH)(NCCH)(H)2	C(CCHN)(CHHN)(H)2	N(CC[6a]HH)2(CCHH)(H)	C(CCHH)(NCCH)(H)2	C(CCHN)(CHHN)(H)2	N(CC[6a]HH)2(CCHH)(H)	110.6270	1.959	2	110.6270	3.836	2	113.9156	5.093	188	113.2797	6.196	391	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCHH)(NCCH)(H)2	C(CC[6a]2H)(CHHN)(H)2	N(CCCH)2(CCHH)(H)	C(CCHH)(NCCH)(H)2	C(CC[6a]2H)(CHHN)(H)2	N(CCCH)2(CCHH)(H)	112.0470	0.000	1	112.0470	0.000	1	113.9156	5.093	188	113.2797	6.196	391	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCHH)(NCCH)(H)2	C(CC[6a]2H)(CHHN)(H)2	N(CCHH)(CH3)2(H)	C(CCHH)(NCCH)(H)2	C(CC[6a]2H)(CHHN)(H)2	N(CCHH)(CH3)2(H)	114.9023	1.263	3	114.9023	1.594	3	113.9156	5.093	188	113.2797	6.196	391	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCHH)(NCCH)(H)2	C(CC[6a]CO)(CHHN)(H)2	N(CCHH)(CH3)2(H)	C(CCHH)(NCCH)(H)2	C(CC[6a]CO)(CHHN)(H)2	N(CCHH)(CH3)2(H)	112.2975	0.704	4	112.2975	0.495	4	113.9156	5.093	188	113.2797	6.196	391	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCHH)(NCCH)(H)2	C(CC[6a]HH)(CHHN)(H)2	N(CCHH)2(CH3)(H)	C(CCHH)(NCCH)(H)2	C(CC[6a]HH)(CHHN)(H)2	N(CCHH)2(CH3)(H)	112.6160	0.140	2	112.6160	0.020	2	113.9156	5.093	188	113.2797	6.196	391	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCHH)(NCCH)(H)2	C(CHHN)(CH3)(H)2	N(CCCH)2(CCHH)(H)	C(CCHH)(NCCH)(H)2	C(CHHN)(CH3)(H)2	N(CCCH)2(CCHH)(H)	115.9610	0.000	1	115.9610	0.000	1	113.9156	5.093	188	113.2797	6.196	391	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCHH)(NCCH)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)(CHHP)2(H)	C(CCHH)(NCCH)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)(CHHP)2(H)	114.0555	0.001	2	114.0555	0.000	2	113.9156	5.093	188	113.2797	6.196	391	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCHH)(NCCH)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)3(H)	C(CCHH)(NCCH)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)3(H)	114.0200	1.432	24	114.0200	2.050	24	113.9156	5.093	188	113.2797	6.196	391	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCHH)(NCCH)(H)2	C(CHHN)(CH3)(H)2	N(CC[6a]HH)2(CCHH)(H)	C(CCHH)(NCCH)(H)2	C(CHHN)(CH3)(H)2	N(CC[6a]HH)2(CCHH)(H)	115.4320	0.000	1	115.4320	0.000	1	113.9156	5.093	188	113.2797	6.196	391	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCHH)(NCCH)(H)2	C(CHHN)(CHHO)(H)2	N(CCHH)(CH3)2(H)	C(CCHH)(NCCH)(H)2	C(CHHN)(CHHO)(H)2	N(CCHH)(CH3)2(H)	113.7900	0.000	1	113.7900	0.000	1	113.9156	5.093	188	113.2797	6.196	391	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCHH)(NCCH)(H)2	C(CHHN)(CHHO)(H)2	N(CCHH)3(H)	C(CCHH)(NCCH)(H)2	C(CHHN)(CHHO)(H)2	N(CCHH)3(H)	113.9920	0.075	2	113.9920	0.006	2	113.9156	5.093	188	113.2797	6.196	391	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCHH)(NCCH)(H)2	C(CHHN)(CHHO)(H)2	N(CC[6a]HH)(CC[6]HH)(CCHH)(H)	C(CCHH)(NCCH)(H)2	C(CHHN)(CHHO)(H)2	N(CC[6a]HH)(CC[6]HH)(CCHH)(H)	115.7090	0.000	1	115.7090	0.000	1	113.9156	5.093	188	113.2797	6.196	391	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCHH)(NCCH)(H)2	C(CHHN)(CHHS)(H)2	N(CCHH)2(CHHP)(H)	C(CCHH)(NCCH)(H)2	C(CHHN)(CHHS)(H)2	N(CCHH)2(CHHP)(H)	115.5190	0.000	1	115.5190	0.000	1	113.9156	5.093	188	113.2797	6.196	391	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCHH)(NCCH)(H)2	C(CHHN)2(H)2	N(CCHH)(CH3)2(H)	C(CCHH)(NCCH)(H)2	C(CHHN)2(H)2	N(CCHH)(CH3)2(H)	114.0167	3.605	43	114.0167	12.994	43	113.9156	5.093	188	113.2797	6.196	391	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCHH)(NCCH)(H)2	C(CHHN)2(H)2	N(CCHH)2(CH3)(H)	C(CCHH)(NCCH)(H)2	C(CHHN)2(H)2	N(CCHH)2(CH3)(H)	114.2406	2.361	17	114.2406	5.573	17	113.9156	5.093	188	113.2797	6.196	391	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCHH)(NCCH)(H)2	C(CHHN)2(H)2	N(CCHH)2(CHHP)(H)	C(CCHH)(NCCH)(H)2	C(CHHN)2(H)2	N(CCHH)2(CHHP)(H)	112.8777	0.763	4	112.8777	0.583	4	113.9156	5.093	188	113.2797	6.196	391	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCHH)(NCCH)(H)2	C(CHHN)2(H)2	N(CCHH)3(H)	C(CCHH)(NCCH)(H)2	C(CHHN)2(H)2	N(CCHH)3(H)	112.7858	2.079	19	112.7858	4.321	19	113.9156	5.093	188	113.2797	6.196	391	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCHH)(NCCH)(H)2	C(CHHN)2(H)2	N(CC[4]HH)(CCHH)(CH3)(H)	C(CCHH)(NCCH)(H)2	C(CHHN)2(H)2	N(CC[4]HH)(CCHH)(CH3)(H)	112.6492	0.491	4	112.6492	0.241	4	113.9156	5.093	188	113.2797	6.196	391	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCHH)(NCCH)(H)2	C(CHHN)2(H)2	N(CC[6a]CH)(CCCH)(CCHH)(H)	C(CCHH)(NCCH)(H)2	C(CHHN)2(H)2	N(CC[6a]CH)(CCCH)(CCHH)(H)	113.5680	0.000	1	113.5680	0.000	1	113.9156	5.093	188	113.2797	6.196	391	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCHH)(NCCH)(H)2	C(CHHN)2(H)2	N(CC[6a]HH)(CCHH)2(H)	C(CCHH)(NCCH)(H)2	C(CHHN)2(H)2	N(CC[6a]HH)(CCHH)2(H)	113.3440	1.538	3	113.3440	2.364	3	113.9156	5.093	188	113.2797	6.196	391	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCHH)(NCCH)(H)2	C(CHHN)2(H)2	N(CC[6a]HH)2(CCHH)(H)	C(CCHH)(NCCH)(H)2	C(CHHN)2(H)2	N(CC[6a]HH)2(CCHH)(H)	113.7045	0.674	2	113.7045	0.454	2	113.9156	5.093	188	113.2797	6.196	391	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCHH)(NCCH)(H)2	C(CO[4]HH)(CHHN)(H)2	N(CCHH)3(H)	C(CCHH)(NCCH)(H)2	C(CO[4]HH)(CHHN)(H)2	N(CCHH)3(H)	113.6730	0.000	1	113.6730	0.000	1	113.9156	5.093	188	113.2797	6.196	391	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHN)(NCCH)(H)2	C(CHHN)(NCCH)(H)2	N(CCCH)(CCHH)2(H)	C(CHHN)(NCCH)(H)2	C(CHHN)(NCCH)(H)2	N(CCCH)(CCHH)2(H)	111.2080	0.000	1	111.2080	0.000	1	112.6998	6.629	194	113.2797	6.196	391	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHN)(NCCH)(H)2	C(CHHN)(NCCH)(H)2	N(CCHH)(CH3)2(H)	C(CHHN)(NCCH)(H)2	C(CHHN)(NCCH)(H)2	N(CCHH)(CH3)2(H)	110.9854	1.027	50	110.9854	1.056	50	112.6998	6.629	194	113.2797	6.196	391	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHN)(NCCH)(H)2	C(CHHN)(NCCH)(H)2	N(CCHH)(CHHP)(CH3)(H)	C(CHHN)(NCCH)(H)2	C(CHHN)(NCCH)(H)2	N(CCHH)(CHHP)(CH3)(H)	110.0830	0.000	1	110.0830	0.000	1	112.6998	6.629	194	113.2797	6.196	391	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHN)(NCCH)(H)2	C(CHHN)(NCCH)(H)2	N(CCHH)(CHHP)2(H)	C(CHHN)(NCCH)(H)2	C(CHHN)(NCCH)(H)2	N(CCHH)(CHHP)2(H)	112.5910	0.000	1	112.5910	0.000	1	112.6998	6.629	194	113.2797	6.196	391	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHN)(NCCH)(H)2	C(CHHN)(NCCH)(H)2	N(CCHH)2(CC3)(H)	C(CHHN)(NCCH)(H)2	C(CHHN)(NCCH)(H)2	N(CCHH)2(CC3)(H)	110.6440	0.000	1	110.6440	0.000	1	112.6998	6.629	194	113.2797	6.196	391	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHN)(NCCH)(H)2	C(CHHN)(NCCH)(H)2	N(CCHH)2(CH3)(H)	C(CHHN)(NCCH)(H)2	C(CHHN)(NCCH)(H)2	N(CCHH)2(CH3)(H)	113.9678	1.902	9	113.9678	3.618	9	112.6998	6.629	194	113.2797	6.196	391	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHN)(NCCH)(H)2	C(CHHN)(NCCH)(H)2	N(CCHH)2(CHHP)(H)	C(CHHN)(NCCH)(H)2	C(CHHN)(NCCH)(H)2	N(CCHH)2(CHHP)(H)	117.5111	2.701	19	117.5111	7.294	19	112.6998	6.629	194	113.2797	6.196	391	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHN)(NCCH)(H)2	C(CHHN)(NCCH)(H)2	N(CCHH)3(H)	C(CHHN)(NCCH)(H)2	C(CHHN)(NCCH)(H)2	N(CCHH)3(H)	112.1991	1.636	19	112.1991	2.675	19	112.6998	6.629	194	113.2797	6.196	391	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHN)(NCCH)(H)2	C(CHHN)(NCCH)(H)2	N(CC[6]HH)(CCHH)2(H)	C(CHHN)(NCCH)(H)2	C(CHHN)(NCCH)(H)2	N(CC[6]HH)(CCHH)2(H)	111.8800	0.000	1	111.8800	0.000	1	112.6998	6.629	194	113.2797	6.196	391	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHN)(NCCH)(H)2	C(CHHN)(NCCH)(H)2	N(CC[6a]HH)(CCHH)(CH3)(H)	C(CHHN)(NCCH)(H)2	C(CHHN)(NCCH)(H)2	N(CC[6a]HH)(CCHH)(CH3)(H)	112.1413	1.107	3	112.1413	1.226	3	112.6998	6.629	194	113.2797	6.196	391	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHN)(NCCH)(H)2	C(CHHN)(NCCH)(H)2	N(CC[6a]HH)(CCHH)2(H)	C(CHHN)(NCCH)(H)2	C(CHHN)(NCCH)(H)2	N(CC[6a]HH)(CCHH)2(H)	110.5870	0.000	1	110.5870	0.000	1	112.6998	6.629	194	113.2797	6.196	391	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHN)(NCCH)(H)2	C(CHHN)(NCCH)(H)2	N(CC[6a]HH)2(CCHH)(H)	C(CHHN)(NCCH)(H)2	C(CHHN)(NCCH)(H)2	N(CC[6a]HH)2(CCHH)(H)	111.3176	1.470	8	111.3176	2.162	8	112.6998	6.629	194	113.2797	6.196	391	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHN)(NCCH)(H)2	C(CHHN)(NCHH)(H)2	N(CCHH)(CH3)2(H)	C(CHHN)(NCCH)(H)2	C(CHHN)(NCHH)(H)2	N(CCHH)(CH3)2(H)	114.0158	3.719	5	114.0158	13.828	5	112.6998	6.629	194	113.2797	6.196	391	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHN)(NCCH)(H)2	C(CHHN)(NCHH)(H)2	N(CCHH)2(CH3)(H)	C(CHHN)(NCCH)(H)2	C(CHHN)(NCHH)(H)2	N(CCHH)2(CH3)(H)	112.8607	3.428	3	112.8607	11.750	3	112.6998	6.629	194	113.2797	6.196	391	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHN)(NCCH)(H)2	C(CHHN)(NCHH)(H)2	N(CCHH)3(H)	C(CHHN)(NCCH)(H)2	C(CHHN)(NCHH)(H)2	N(CCHH)3(H)	112.5826	2.115	44	112.5826	4.474	44	112.6998	6.629	194	113.2797	6.196	391	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHN)(NCCH)(H)2	C(CHHN)(NH3)(H)2	N(CCHH)(CH3)2(H)	C(CHHN)(NCCH)(H)2	C(CHHN)(NH3)(H)2	N(CCHH)(CH3)2(H)	113.8573	1.764	12	113.8573	3.112	12	112.6998	6.629	194	113.2797	6.196	391	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHN)(NCCH)(H)2	C(CHHN)(NH3)(H)2	N(CCHH)3(H)	C(CHHN)(NCCH)(H)2	C(CHHN)(NH3)(H)2	N(CCHH)3(H)	112.6088	1.415	16	112.6088	2.001	16	112.6998	6.629	194	113.2797	6.196	391	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CC[6]HH)(NCCH)(H)2	C(C[6]C[6,6a]C[6]C)(CHHN)(H)2	N(CC[6]HH)(CCHH)(CH3)(H)	C(CC[6]HH)(NCCH)(H)2	C(C[6]C[6,6a]C[6]C)(CHHN)(H)2	N(CC[6]HH)(CCHH)(CH3)(H)	111.7315	2.558	2	111.7315	6.541	2	111.7315	6.541	2	113.2797	6.196	391	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHN)(NCCH)(H)2	C(NNiCC)(CHHN)(H)2	N(CCHH)(CH3)2(H)	C(CHHN)(NCCH)(H)2	C(NNiCC)(CHHN)(H)2	N(CCHH)(CH3)2(H)	113.7650	0.000	1	113.7650	0.000	1	110.9720	15.602	2	113.2797	6.196	391	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHN)(NCCH)(H)2	C(NZnCC)(CHHN)(H)2	N(CC[6a]HH)(CCHH)2(H)	C(CHHN)(NCCH)(H)2	C(NZnCC)(CHHN)(H)2	N(CC[6a]HH)(CCHH)2(H)	108.1790	0.000	1	108.1790	0.000	1	110.9720	15.602	2	113.2797	6.196	391	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:1:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C(NC[6]CH)(CCHH)(H)2	C(CCHN)(CHHN)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(CCHH)(H)	C(NC[6]CH)(CCHH)(H)2	C(CCHN)(CHHN)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(CCHH)(H)	114.5760	0.000	1	114.5760	0.000	1	114.5760	0.000	1	113.2797	6.196	391	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C(NC[6]CH)(CHHN)(H)2	C(NC[6]CH)(CHHN)(H)2	N(C[6]C[6]2H)(CCHH)2(H)	C(NC[6]CH)(CHHN)(H)2	C(NC[6]CH)(CHHN)(H)2	N(C[6]C[6]2H)(CCHH)2(H)	111.5490	0.000	1	111.5490	0.000	1	111.5490	0.000	1	113.2797	6.196	391	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:2:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-2:	C(CCHH)(NC3)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)3(CC)	C(CCHH)(NC3)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)3(CC)	115.4007	0.650	3	115.4007	0.422	3	115.4007	0.422	3	115.4007	0.422	3	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:3:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C(CCHH)(NC3)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)2(CH3)(CCH)	C(CCHH)(NC3)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)2(CH3)(CCH)	115.4410	0.000	1	115.4410	0.000	1	115.4578	2.787	13	115.4578	2.787	13	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:3:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C(CCHH)(NC3)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)3(CCH)	C(CCHH)(NC3)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)3(CCH)	115.5146	1.818	11	115.5146	3.304	11	115.4578	2.787	13	115.4578	2.787	13	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:3:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C(CCHH)(NC3)(H)2	C(CHHN)2(H)2	N(CClHH)(CCHH)(CH3)(CHH)	C(CCHH)(NC3)(H)2	C(CHHN)2(H)2	N(CClHH)(CCHH)(CH3)(CHH)	114.8490	0.000	1	114.8490	0.000	1	115.4578	2.787	13	115.4578	2.787	13	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	B-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CBHH)(NC3)(H)2	C(BC[6a]3)(CHHN)(H)2	N(CC[6a]HH)(CCHH)(CH3)2	C(CBHH)(NC3)(H)2	C(BC[6a]3)(CHHN)(H)2	N(CC[6a]HH)(CCHH)(CH3)2	116.1190	0.758	2	116.1190	0.575	2	116.1190	0.575	2	116.0713	5.324	4540	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	B-4:C-4:C-4:C-4:	C(CCHH)(NBCC)(H)2	C(CHHN)(CH3)(H)2	N(BHHN)(CCHH)3	C(CCHH)(NBCC)(H)2	C(CHHN)(CH3)(H)2	N(BHHN)(CCHH)3	117.0547	0.194	3	117.0547	0.037	3	117.0547	0.037	3	116.0713	5.324	4540	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:B-4:	C(CCHH)(NBCC)(H)2	C(CHHN)(CHHS)(H)2	N(CCHH)3(BH3)	C(CCHH)(NBCC)(H)2	C(CHHN)(CHHS)(H)2	N(CCHH)3(BH3)	115.8410	0.000	1	115.8410	0.000	1	115.8410	0.000	1	116.0713	5.324	4540	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(NC3)(H)2	C(CBrHH)(CHHN)(H)2	N(CCHH)(CH3)3	C(CCHH)(NC3)(H)2	C(CBrHH)(CHHN)(H)2	N(CCHH)(CH3)3	114.9850	0.794	3	114.9850	0.630	3	116.0768	5.326	4515	116.0713	5.324	4540	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(NC3)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CH3)3	C(CCHH)(NC3)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CH3)3	115.6249	0.932	15	115.6249	0.869	15	116.0768	5.326	4515	116.0713	5.324	4540	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(NC3)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CHHI)(CH3)2	C(CCHH)(NC3)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CHHI)(CH3)2	114.6380	0.202	2	114.6380	0.041	2	116.0768	5.326	4515	116.0713	5.324	4540	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(NC3)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)2(CH3)2	C(CCHH)(NC3)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)2(CH3)2	115.3164	0.926	17	115.3164	0.858	17	116.0768	5.326	4515	116.0713	5.324	4540	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(NC3)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)3(CH3)	C(CCHH)(NC3)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)3(CH3)	115.9856	0.720	47	115.9856	0.519	47	116.0768	5.326	4515	116.0713	5.324	4540	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(NC3)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)4	C(CCHH)(NC3)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)4	116.0459	2.312	4060	116.0459	5.345	4060	116.0768	5.326	4515	116.0713	5.324	4540	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(NC3)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6]HH)(CCHH)(CH3)2	C(CCHH)(NC3)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6]HH)(CCHH)(CH3)2	115.6860	0.047	4	115.6860	0.002	4	116.0768	5.326	4515	116.0713	5.324	4540	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(NC3)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]HH)(CCHH)(CH3)2	C(CCHH)(NC3)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]HH)(CCHH)(CH3)2	116.2775	1.048	6	116.2775	1.098	6	116.0768	5.326	4515	116.0713	5.324	4540	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(NC3)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]HH)(CCHH)3	C(CCHH)(NC3)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]HH)(CCHH)3	116.1015	1.229	18	116.1015	1.511	18	116.0768	5.326	4515	116.0713	5.324	4540	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(NC3)(H)2	C(CC[6a]HH)(CHHN)(H)2	N(CCHH)(CH3)3	C(CCHH)(NC3)(H)2	C(CC[6a]HH)(CHHN)(H)2	N(CCHH)(CH3)3	116.7690	0.342	2	116.7690	0.117	2	116.0768	5.326	4515	116.0713	5.324	4540	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(NC3)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)(CH3)3	C(CCHH)(NC3)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)(CH3)3	128.3244	4.272	10	128.3244	18.252	10	116.0768	5.326	4515	116.0713	5.324	4540	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(NC3)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)2(CH3)2	C(CCHH)(NC3)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)2(CH3)2	115.6520	0.981	2	115.6520	0.963	2	116.0768	5.326	4515	116.0713	5.324	4540	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(NC3)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)3(CH3)	C(CCHH)(NC3)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)3(CH3)	115.3283	0.278	3	115.3283	0.077	3	116.0768	5.326	4515	116.0713	5.324	4540	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(NC3)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)4	C(CCHH)(NC3)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)4	116.2407	1.311	297	116.2407	1.719	297	116.0768	5.326	4515	116.0713	5.324	4540	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(NC3)(H)2	C(CHHN)(CH3)(H)2	N(CC[6a]HH)(CCHH)(CH3)2	C(CCHH)(NC3)(H)2	C(CHHN)(CH3)(H)2	N(CC[6a]HH)(CCHH)(CH3)2	118.3470	3.005	2	118.3470	9.031	2	116.0768	5.326	4515	116.0713	5.324	4540	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(NC3)(H)2	C(CHHN)(CH3)(H)2	N(CC[6a]HH)(CCHH)3	C(CCHH)(NC3)(H)2	C(CHHN)(CH3)(H)2	N(CC[6a]HH)(CCHH)3	115.9637	0.287	6	115.9637	0.082	6	116.0768	5.326	4515	116.0713	5.324	4540	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(NC3)(H)2	C(CHHN)(CHHO)(H)2	N(CCHH)(CH3)3	C(CCHH)(NC3)(H)2	C(CHHN)(CHHO)(H)2	N(CCHH)(CH3)3	115.2120	0.000	1	115.2120	0.000	1	116.0768	5.326	4515	116.0713	5.324	4540	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(NC3)(H)2	C(CHHN)(CHHO)(H)2	N(CCHH)4	C(CCHH)(NC3)(H)2	C(CHHN)(CHHO)(H)2	N(CCHH)4	115.7520	0.000	1	115.7520	0.000	1	116.0768	5.326	4515	116.0713	5.324	4540	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(NC3)(H)2	C(CHHN)(CHHS)(H)2	N(CCHH)2(CH3)2	C(CCHH)(NC3)(H)2	C(CHHN)(CHHS)(H)2	N(CCHH)2(CH3)2	115.5710	0.000	1	115.5710	0.000	1	116.0768	5.326	4515	116.0713	5.324	4540	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(NC3)(H)2	C(CHHN)(CHHS)(H)2	N(CC[5]HH)(CCHH)(CH3)2	C(CCHH)(NC3)(H)2	C(CHHN)(CHHS)(H)2	N(CC[5]HH)(CCHH)(CH3)2	115.7070	0.385	2	115.7070	0.148	2	116.0768	5.326	4515	116.0713	5.324	4540	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(NC3)(H)2	C(CHHN)(CHHS)(H)2	N(CC[6a]HH)(CCHH)(CH3)2	C(CCHH)(NC3)(H)2	C(CHHN)(CHHS)(H)2	N(CC[6a]HH)(CCHH)(CH3)2	115.8870	0.000	1	115.8870	0.000	1	116.0768	5.326	4515	116.0713	5.324	4540	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(NC3)(H)2	C(CHHN)2(H)2	N(CCHH)(CH3)3	C(CCHH)(NC3)(H)2	C(CHHN)2(H)2	N(CCHH)(CH3)3	114.8740	0.450	4	114.8740	0.203	4	116.0768	5.326	4515	116.0713	5.324	4540	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(NC3)(H)2	C(CHHN)2(H)2	N(CCHH)2(CH3)2	C(CCHH)(NC3)(H)2	C(CHHN)2(H)2	N(CCHH)2(CH3)2	115.2170	0.479	2	115.2170	0.230	2	116.0768	5.326	4515	116.0713	5.324	4540	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(NC3)(H)2	C(CHHN)2(H)2	N(CC[5]HH)(CCHH)(CH3)2	C(CCHH)(NC3)(H)2	C(CHHN)2(H)2	N(CC[5]HH)(CCHH)(CH3)2	115.6730	0.000	1	115.6730	0.000	1	116.0768	5.326	4515	116.0713	5.324	4540	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(NC3)(H)2	C(CHHN)2(H)2	N(CC[6a]HH)(CCHH)(CH3)2	C(CCHH)(NC3)(H)2	C(CHHN)2(H)2	N(CC[6a]HH)(CCHH)(CH3)2	114.9376	1.393	5	114.9376	1.941	5	116.0768	5.326	4515	116.0713	5.324	4540	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(NC3)(H)2	C(CN[5]HH)(CHHN)(H)2	N(CCHH)(CH3)3	C(CCHH)(NC3)(H)2	C(CN[5]HH)(CHHN)(H)2	N(CCHH)(CH3)3	114.1230	0.000	1	114.1230	0.000	1	116.0768	5.326	4515	116.0713	5.324	4540	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(NC3)(H)2	C(CN[5a]HH)(CHHN)(H)2	N(CCHH)(CH3)3	C(CCHH)(NC3)(H)2	C(CN[5a]HH)(CHHN)(H)2	N(CCHH)(CH3)3	114.7550	0.000	1	114.7550	0.000	1	116.0768	5.326	4515	116.0713	5.324	4540	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(NC3)(H)2	C(CSnHH)(CHHN)(H)2	N(CCHH)(CH3)3	C(CCHH)(NC3)(H)2	C(CSnHH)(CHHN)(H)2	N(CCHH)(CH3)3	116.7820	0.000	1	116.7820	0.000	1	116.0768	5.326	4515	116.0713	5.324	4540	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:S-4:	C(CCHH)(NCCS)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)3(SO3)	C(CCHH)(NCCS)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)3(SO3)	115.9290	0.000	1	115.9290	0.000	1	115.9290	0.000	1	116.0713	5.324	4540	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	B-4:C-4:C-4:C-4:	C(CHHN)(NBCC)(H)2	C(CHHN)(NBCC)(H)2	N(BCHH)(CCHH)(CH3)2	C(CHHN)(NBCC)(H)2	C(CHHN)(NBCC)(H)2	N(BCHH)(CCHH)(CH3)2	118.7705	0.214	2	118.7705	0.046	2	118.7705	0.046	2	116.0713	5.324	4540	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CHHN)(NC3)(H)2	C(CHHN)(NC3)(H)2	N(CCHH)(CH3)3	C(CHHN)(NC3)(H)2	C(CHHN)(NC3)(H)2	N(CCHH)(CH3)3	112.2400	0.000	1	112.2400	0.000	1	112.7191	0.545	8	116.0713	5.324	4540	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CHHN)(NC3)(H)2	C(CHHN)(NC3)(H)2	N(CCHH)2(CH3)2	C(CHHN)(NC3)(H)2	C(CHHN)(NC3)(H)2	N(CCHH)2(CH3)2	112.8692	0.581	4	112.8692	0.337	4	112.7191	0.545	8	116.0713	5.324	4540	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CHHN)(NC3)(H)2	C(CHHN)(NC3)(H)2	N(CC[6a]HH)(CCHH)(CH3)2	C(CHHN)(NC3)(H)2	C(CHHN)(NC3)(H)2	N(CC[6a]HH)(CCHH)(CH3)2	112.1315	0.827	2	112.1315	0.683	2	112.7191	0.545	8	116.0713	5.324	4540	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CHHN)(NC3)(H)2	C(CHHN)(NH3)(H)2	N(CCHH)(CH3)3	C(CHHN)(NC3)(H)2	C(CHHN)(NH3)(H)2	N(CCHH)(CH3)3	113.7730	0.000	1	113.7730	0.000	1	112.7191	0.545	8	116.0713	5.324	4540	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CC[5]HH)(NC3)(H)2	C(C[5]C[5]2Cr)(CHHN)(H)2	N(CCHH)(CH3)3	C(CC[5]HH)(NC3)(H)2	C(C[5]C[5]2Cr)(CHHN)(H)2	N(CCHH)(CH3)3	114.5670	0.000	1	114.5670	0.000	1	114.8822	0.604	4	116.0713	5.324	4540	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CC[5]HH)(NC3)(H)2	C(C[5]C[5]2Mo)(CHHN)(H)2	N(CCHH)(CH3)3	C(CC[5]HH)(NC3)(H)2	C(C[5]C[5]2Mo)(CHHN)(H)2	N(CCHH)(CH3)3	114.4090	0.000	1	114.4090	0.000	1	114.8822	0.604	4	116.0713	5.324	4540	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CC[5]HH)(NC3)(H)2	C(C[5]C[5]2W)(CHHN)(H)2	N(CCHH)(CH3)3	C(CC[5]HH)(NC3)(H)2	C(C[5]C[5]2W)(CHHN)(H)2	N(CCHH)(CH3)3	115.2765	1.085	2	115.2765	1.178	2	114.8822	0.604	4	116.0713	5.324	4540	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CC[6]HH)(NC3)(H)2	C(C[6]C[6]2H)(CHHN)(H)2	N(CC[6a]HH)(CCHH)(CH3)2	C(CC[6]HH)(NC3)(H)2	C(C[6]C[6]2H)(CHHN)(H)2	N(CC[6a]HH)(CCHH)(CH3)2	117.0730	0.000	1	117.0730	0.000	1	117.0730	0.000	1	116.0713	5.324	4540	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:1:1:	4:4:4:4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C(NC[6]CC)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6]C[6]2H)(CCHH)(CH3)2	C(NC[6]CC)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6]C[6]2H)(CCHH)(CH3)2	115.2957	0.824	3	115.2957	0.679	3	115.2957	0.679	3	116.0713	5.324	4540	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:2:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(NH3)(H)2	C(CCHH)(CHHN)(OH)(H)	N(CCHH)(H)3	C(CCHO)(NH3)(H)2	C(CCHH)(CHHN)(OH)(H)	N(CCHH)(H)3	110.3687	0.268	6	110.3687	0.072	6	110.9653	0.683	11	110.9653	0.683	11	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:2:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(NH3)(H)2	C(CHHN)(CH3)(OH)(H)	N(CCHH)(H)3	C(CCHO)(NH3)(H)2	C(CHHN)(CH3)(OH)(H)	N(CCHH)(H)3	111.1705	0.312	2	111.1705	0.097	2	110.9653	0.683	11	110.9653	0.683	11	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:2:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(NH3)(H)2	C(CHHN)(CHHO)(OC)(H)	N(CCHH)(H)3	C(CCHO)(NH3)(H)2	C(CHHN)(CHHO)(OC)(H)	N(CCHH)(H)3	111.8000	0.000	1	111.8000	0.000	1	110.9653	0.683	11	110.9653	0.683	11	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:2:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(NH3)(H)2	C(CHHN)2(OH)(H)	N(CCHH)(H)3	C(CCHO)(NH3)(H)2	C(CHHN)2(OH)(H)	N(CCHH)(H)3	112.1325	0.858	2	112.1325	0.736	2	110.9653	0.683	11	110.9653	0.683	11	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHO)(NCHH)(H)2	C(CCHO)(CHHN)(OH)(H)	N(CCHH)(CH3)(H)2	C(CCHO)(NCHH)(H)2	C(CCHO)(CHHN)(OH)(H)	N(CCHH)(CH3)(H)2	109.4060	0.000	1	109.4060	0.000	1	111.9189	4.146	13	111.9611	3.344	18	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHO)(NCHH)(H)2	C(CHHN)(CHHO)(OC)(H)	N(CCCH)(CCHH)(H)2	C(CCHO)(NCHH)(H)2	C(CHHN)(CHHO)(OC)(H)	N(CCCH)(CCHH)(H)2	112.4680	0.000	1	112.4680	0.000	1	111.9189	4.146	13	111.9611	3.344	18	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHO)(NCHH)(H)2	C(CHHN)(CHHO)(OH)(H)	N(CCCH)(CCHH)(H)2	C(CCHO)(NCHH)(H)2	C(CHHN)(CHHO)(OH)(H)	N(CCCH)(CCHH)(H)2	112.4245	2.852	4	112.4245	8.133	4	111.9189	4.146	13	111.9611	3.344	18	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHO)(NCHH)(H)2	C(CHHN)(CHHO)(OH)(H)	N(CCHH)(CC3)(H)2	C(CCHO)(NCHH)(H)2	C(CHHN)(CHHO)(OH)(H)	N(CCHH)(CC3)(H)2	110.9577	0.833	3	110.9577	0.694	3	111.9189	4.146	13	111.9611	3.344	18	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHO)(NCHH)(H)2	C(CHHN)2(OH)(H)	N(CCCH)(CCHH)(H)2	C(CCHO)(NCHH)(H)2	C(CHHN)2(OH)(H)	N(CCCH)(CCHH)(H)2	111.0595	1.322	2	111.0595	1.747	2	111.9189	4.146	13	111.9611	3.344	18	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHO)(NCHH)(H)2	C(CHHN)2(OH)(H)	N(CCHH)2(H)2	C(CCHO)(NCHH)(H)2	C(CHHN)2(OH)(H)	N(CCHH)2(H)2	114.1910	0.013	2	114.1910	0.000	2	111.9189	4.146	13	111.9611	3.344	18	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HO)(NCHH)(H)2	C(C[6]C[6]O[6]H)(CHHN)(OH)(H)	N(CCHH)2(H)2	C(CC[6]HO)(NCHH)(H)2	C(C[6]C[6]O[6]H)(CHHN)(OH)(H)	N(CCHH)2(H)2	113.1505	0.489	2	113.1505	0.239	2	112.0708	1.753	5	111.9611	3.344	18	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HO)(NCHH)(H)2	C(C[6]C[6]O[6]H)(CHHN)(OH)(H)	N(CC[6a]HH)(CCHH)(H)2	C(CC[6]HO)(NCHH)(H)2	C(C[6]C[6]O[6]H)(CHHN)(OH)(H)	N(CC[6a]HH)(CCHH)(H)2	111.3510	1.202	3	111.3510	1.444	3	112.0708	1.753	5	111.9611	3.344	18	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:2:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C(CCHO)(NCCH)(H)2	C(CFHH)(CHHN)(OC)(H)	N(CC[6a]2H)(CCHH)2(H)	C(CCHO)(NCCH)(H)2	C(CFHH)(CHHN)(OC)(H)	N(CC[6a]2H)(CCHH)2(H)	113.7870	0.000	1	113.7870	0.000	1	112.7422	0.771	4	112.7422	0.771	4	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:2:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C(CCHO)(NCCH)(H)2	C(CHHN)(CH3)(OH)(H)	N(CCHH)(CH3)2(H)	C(CCHO)(NCCH)(H)2	C(CHHN)(CH3)(OH)(H)	N(CCHH)(CH3)2(H)	112.6345	0.715	2	112.6345	0.511	2	112.7422	0.771	4	112.7422	0.771	4	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:2:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C(CCHO)(NCCH)(H)2	C(CHHN)2(OH)(H)	N(CCHH)2(CC3)(H)	C(CCHO)(NCCH)(H)2	C(CHHN)2(OH)(H)	N(CCHH)2(CC3)(H)	111.9130	0.000	1	111.9130	0.000	1	112.7422	0.771	4	112.7422	0.771	4	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:2:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C(CCHO)(NC3)(H)2	C(CCHH)(CHHN)(OC)(H)	N(CCHH)(CH3)3	C(CCHO)(NC3)(H)2	C(CCHH)(CHHN)(OC)(H)	N(CCHH)(CH3)3	117.7750	1.974	2	117.7750	3.898	2	116.2901	1.782	14	116.2901	1.782	14	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:2:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C(CCHO)(NC3)(H)2	C(CCHH)(CHHN)(OH)(H)	N(CCHH)(CH3)3	C(CCHO)(NC3)(H)2	C(CCHH)(CHHN)(OH)(H)	N(CCHH)(CH3)3	115.6891	0.384	8	115.6891	0.147	8	116.2901	1.782	14	116.2901	1.782	14	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:2:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C(CCHO)(NC3)(H)2	C(CCHH)(CHHN)(OP)(H)	N(CCHH)2(CH3)2	C(CCHO)(NC3)(H)2	C(CCHH)(CHHN)(OP)(H)	N(CCHH)2(CH3)2	114.0310	0.000	1	114.0310	0.000	1	116.2901	1.782	14	116.2901	1.782	14	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:2:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C(CCHO)(NC3)(H)2	C(CClHH)(CHHN)(OH)(H)	N(CCHH)(CH3)3	C(CCHO)(NC3)(H)2	C(CClHH)(CHHN)(OH)(H)	N(CCHH)(CH3)3	118.0350	0.000	1	118.0350	0.000	1	116.2901	1.782	14	116.2901	1.782	14	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:2:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C(CCHO)(NC3)(H)2	C(CHHN)(CH3)(OC)(H)	N(CCHH)(CH3)3	C(CCHO)(NC3)(H)2	C(CHHN)(CH3)(OC)(H)	N(CCHH)(CH3)3	117.5630	0.000	1	117.5630	0.000	1	116.2901	1.782	14	116.2901	1.782	14	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:2:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C(CCHO)(NC3)(H)2	C(CHHN)(CHHO)(OH)(H)	N(CCHH)(CH3)3	C(CCHO)(NC3)(H)2	C(CHHN)(CHHO)(OH)(H)	N(CCHH)(CH3)3	117.3690	0.000	1	117.3690	0.000	1	116.2901	1.782	14	116.2901	1.782	14	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(NH3)(H)2	C(CHHN)(CH3)(COO)(H)	N(CCHH)(H)3	C(CCCH)(NH3)(H)2	C(CHHN)(CH3)(COO)(H)	N(CCHH)(H)3	112.2740	0.000	1	112.2740	0.000	1	112.2740	0.000	1	111.5615	0.806	4	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(NH3)(H)2	C(CHHN)(CH3)(NHH)(H)	N(CCHH)(H)3	C(CCHN)(NH3)(H)2	C(CHHN)(CH3)(NHH)(H)	N(CCHH)(H)3	111.3240	0.933	3	111.3240	0.871	3	111.3240	0.871	3	111.5615	0.806	4	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(NCHH)(H)2	C(CHHN)2(COO)(H)	N(CCHH)2(H)2	C(CCCH)(NCHH)(H)2	C(CHHN)2(COO)(H)	N(CCHH)2(H)2	113.5385	0.220	2	113.5385	0.048	2	113.5385	0.048	2	112.2406	1.613	12	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHN)(NCHH)(H)2	C(CHHN)(CH3)(NCH)(H)	N(CCCH)(CCHH)(H)2	C(CCHN)(NCHH)(H)2	C(CHHN)(CH3)(NCH)(H)	N(CCCH)(CCHH)(H)2	111.5330	0.520	5	111.5330	0.271	5	111.9810	1.517	10	112.2406	1.613	12	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHN)(NCHH)(H)2	C(CHHN)(CH3)(NCH)(H)	N(CCHH)(CC3)(H)2	C(CCHN)(NCHH)(H)2	C(CHHN)(CH3)(NCH)(H)	N(CCHH)(CC3)(H)2	112.1197	0.247	3	112.1197	0.061	3	111.9810	1.517	10	112.2406	1.613	12	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHN)(NCHH)(H)2	C(CHHN)(CH3)(NCS)(H)	N(CCHH)2(H)2	C(CCHN)(NCHH)(H)2	C(CHHN)(CH3)(NCS)(H)	N(CCHH)2(H)2	115.0980	0.000	1	115.0980	0.000	1	111.9810	1.517	10	112.2406	1.613	12	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHN)(NCHH)(H)2	C(CHHN)(CHHO)(NCH)(H)	N(CCCH)(CCHH)(H)2	C(CCHN)(NCHH)(H)2	C(CHHN)(CHHO)(NCH)(H)	N(CCCH)(CCHH)(H)2	110.6880	0.000	1	110.6880	0.000	1	111.9810	1.517	10	112.2406	1.613	12	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:3:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C(CCHN)(NCCH)(H)2	C(CCCH)(CHHN)(NCC)(H)	N(CCHH)2(CH3)(H)	C(CCHN)(NCCH)(H)2	C(CCCH)(CHHN)(NCC)(H)	N(CCHH)2(CH3)(H)	110.7930	0.000	1	110.7930	0.000	1	110.7930	0.000	1	110.7930	0.000	1	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:3:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-4:	C(CCHN)(NC3)(H)2	C(CCCH)(CHHN)(NCH)(H)	N(CC[6a]HH)(CCHH)(CH3)2	C(CCHN)(NC3)(H)2	C(CCCH)(CHHN)(NCH)(H)	N(CC[6a]HH)(CCHH)(CH3)2	115.6650	0.000	1	115.6650	0.000	1	115.6650	0.000	1	115.6650	0.000	1	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:3:2:	4:4:4:1:	C-4:N-4:H-1:H-1:	C[5]-4:C-4:C-3:O-2:	C-4:C-4:C-4:H-1:	C(CC[5]CO)(NCCH)(H)2	C(C[5]C[5]O[5]H)(CHHN)(COO)(OH)	N(CCHH)(CH3)2(H)	C(CC[5]CO)(NCCH)(H)2	C(C[5]C[5]O[5]H)(CHHN)(COO)(OH)	N(CCHH)(CH3)2(H)	115.7445	0.395	2	115.7445	0.156	2	115.7445	0.156	2	115.7445	0.156	2	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(NH3)(H)2	C(CCHH)(CHHN)(CF3)(H)	N(CCHH)(H)3	C(CCCH)(NH3)(H)2	C(CCHH)(CHHN)(CF3)(H)	N(CCHH)(H)3	110.5790	0.000	1	110.5790	0.000	1	113.4797	3.598	41	112.9818	5.857	69	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(NH3)(H)2	C(CCHH)(CHHN)(CH3)(H)	N(CCHH)(H)3	C(CCCH)(NH3)(H)2	C(CCHH)(CHHN)(CH3)(H)	N(CCHH)(H)3	113.5958	1.348	4	113.5958	1.817	4	113.4797	3.598	41	112.9818	5.857	69	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(NH3)(H)2	C(CCHH)2(CHHN)(H)	N(CCHH)(H)3	C(CCCH)(NH3)(H)2	C(CCHH)2(CHHN)(H)	N(CCHH)(H)3	113.1475	1.188	25	113.1475	1.412	25	113.4797	3.598	41	112.9818	5.857	69	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(NH3)(H)2	C(CHHN)(CH3)2(H)	N(CCHH)(H)3	C(CCCH)(NH3)(H)2	C(CHHN)(CH3)2(H)	N(CCHH)(H)3	114.7956	3.103	9	114.7956	9.629	9	113.4797	3.598	41	112.9818	5.857	69	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(NH3)(H)2	C(CHHN)(CHHS)2(H)	N(CCHH)(H)3	C(CCCH)(NH3)(H)2	C(CHHN)(CHHS)2(H)	N(CCHH)(H)3	112.9285	0.359	2	112.9285	0.129	2	113.4797	3.598	41	112.9818	5.857	69	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(NH3)(H)2	C(CCHN)(CHHN)(NH3)(H)	N(CCHH)(H)3	C(CCHN)(NH3)(H)2	C(CCHN)(CHHN)(NH3)(H)	N(CCHH)(H)3	112.8530	0.000	1	112.8530	0.000	1	112.2528	8.493	28	112.9818	5.857	69	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(NH3)(H)2	C(CHHN)(CH3)(NH3)(H)	N(CCHH)(H)3	C(CCHN)(NH3)(H)2	C(CHHN)(CH3)(NH3)(H)	N(CCHH)(H)3	112.2305	2.967	27	112.2305	8.806	27	112.2528	8.493	28	112.9818	5.857	69	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(NCHH)(H)2	C(CHHN)(CH3)2(H)	N(CCHH)2(H)2	C(CCCH)(NCHH)(H)2	C(CHHN)(CH3)2(H)	N(CCHH)2(H)2	113.7283	1.041	10	113.7283	1.083	10	113.7283	1.083	10	113.7283	1.083	10	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:4:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(NCCH)(H)2	C(CC[6a]CH)(CHHN)(CH3)(H)	N(CCHH)(CH3)2(H)	C(CCCH)(NCCH)(H)2	C(CC[6a]CH)(CHHN)(CH3)(H)	N(CCHH)(CH3)2(H)	114.6251	0.481	11	114.6251	0.231	11	114.7029	0.387	18	114.8295	0.499	20	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:4:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(NCCH)(H)2	C(CHHN)2(CH3)(H)	N(CCHH)(CH3)2(H)	C(CCCH)(NCCH)(H)2	C(CHHN)2(CH3)(H)	N(CCHH)(CH3)2(H)	114.9110	0.848	4	114.9110	0.720	4	114.7029	0.387	18	114.8295	0.499	20	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:4:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(NCCH)(H)2	C(CN[6]HH)(CHHN)(CH3)(H)	N(CCHH)(CH3)2(H)	C(CCCH)(NCCH)(H)2	C(CN[6]HH)(CHHN)(CH3)(H)	N(CCHH)(CH3)2(H)	114.7110	0.969	3	114.7110	0.938	3	114.7029	0.387	18	114.8295	0.499	20	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:4:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:C-4:C-4:H-1:	C(CCHN)(NCCH)(H)2	C(CHHN)(CH3)(NH3)(H)	N(CCHH)(CH3)2(H)	C(CCHN)(NCCH)(H)2	C(CHHN)(CH3)(NH3)(H)	N(CCHH)(CH3)2(H)	115.9140	0.000	1	115.9140	0.000	1	115.9140	0.000	1	114.8295	0.499	20	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:4:1:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:N-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CCHN)(NCCH)(H)2	C(CHHN)(NCCH)(CH3)(H)	N(CCHH)2(CH3)(H)	C(CCHN)(NCCH)(H)2	C(CHHN)(NCCH)(CH3)(H)	N(CCHH)2(CH3)(H)	116.0240	0.000	1	116.0240	0.000	1	116.0240	0.000	1	114.8295	0.499	20	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:4:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C[4]-4:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C(CC[4]CH)(NC3)(H)2	C(C[4]C[4]2H)(CHHN)(CH3)(H)	N(CB[5]HH)(CCHH)(CH3)2	C(CC[4]CH)(NC3)(H)2	C(C[4]C[4]2H)(CHHN)(CH3)(H)	N(CB[5]HH)(CCHH)(CH3)2	114.7690	0.000	1	114.7690	0.000	1	114.7690	0.000	1	114.7690	0.000	1	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:4:2:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:H-1:	C(CCCO)(NCCH)(H)2	C(CHHN)(CF3)2(OH)	N(CCHH)3(H)	C(CCCO)(NCCH)(H)2	C(CHHN)(CF3)2(OH)	N(CCHH)3(H)	112.4750	0.000	1	112.4750	0.000	1	112.4750	0.000	1	112.4750	0.000	1	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:4:3:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:C-4:H-1:H-1:	C(CCCN)(NCHH)(H)2	C(CHHN)2(CH3)(NCH)	N(CCHH)2(H)2	C(CCCN)(NCHH)(H)2	C(CHHN)2(CH3)(NCH)	N(CCHH)2(H)2	113.8160	0.000	1	113.8160	0.000	1	113.0730	1.104	2	114.2050	2.534	4	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:4:3:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:C-4:H-1:H-1:	C(CCCN)(NCHH)(H)2	C(CHHN)2(CH3)(NHH)	N(CCHH)2(H)2	C(CCCN)(NCHH)(H)2	C(CHHN)2(CH3)(NHH)	N(CCHH)2(H)2	112.3300	0.000	1	112.3300	0.000	1	113.0730	1.104	2	114.2050	2.534	4	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:4:3:	4:4:1:1:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:C-4:H-1:H-1:	C(NCHH)(CC3)(H)2	C(CCHH)2(CHHN)(CHN)	N(CCHH)2(H)2	C(NCHH)(CC3)(H)2	C(CCHH)2(CHHN)(CHN)	N(CCHH)2(H)2	116.1650	0.000	1	116.1650	0.000	1	115.3370	1.371	2	114.2050	2.534	4	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:4:3:	4:4:1:1:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:C-4:H-1:H-1:	C(NCHH)(CC3)(H)2	C(CHHN)(CH3)2(CHN)	N(CCHH)2(H)2	C(NCHH)(CC3)(H)2	C(CHHN)(CH3)2(CHN)	N(CCHH)2(H)2	114.5090	0.000	1	114.5090	0.000	1	115.3370	1.371	2	114.2050	2.534	4	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:4:4:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CC3)(NH3)(H)2	C(CHHN)2(CH3)2	N(CCHH)(H)3	C(CC3)(NH3)(H)2	C(CHHN)2(CH3)2	N(CCHH)(H)3	114.9084	0.723	5	114.9084	0.523	5	114.8451	0.543	8	114.6332	0.879	9	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:4:4:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CC3)(NH3)(H)2	C(CHHN)3(CHHO)	N(CCHH)(H)3	C(CC3)(NH3)(H)2	C(CHHN)3(CHHO)	N(CCHH)(H)3	114.7397	0.910	3	114.7397	0.828	3	114.8451	0.543	8	114.6332	0.879	9	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:4:4:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:N-4:	C-4:H-1:H-1:H-1:	C(CCCN)(NH3)(H)2	C(CCHH)(CCHO)(CHHN)(NCHH)	N(CCHH)(H)3	C(CCCN)(NH3)(H)2	C(CCHH)(CCHO)(CHHN)(NCHH)	N(CCHH)(H)3	112.9380	0.000	1	112.9380	0.000	1	112.9380	0.000	1	114.6332	0.879	9	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:4:4:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:N-4:	C-4:C-4:H-1:H-1:	C(CCCN)(NCHH)(H)2	C(CCHH)(CHHN)2(NH3)	N(CCHH)2(H)2	C(CCCN)(NCHH)(H)2	C(CCHH)(CHHN)2(NH3)	N(CCHH)2(H)2	111.9810	0.451	2	111.9810	0.204	2	114.0522	5.482	6	114.2208	4.720	10	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:4:4:	4:4:1:1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:N-4:	C-4:C-4:H-1:H-1:	C(CCCN)(NCHH)(H)2	C(CHHN)2(CH3)(NH3)	N(CCHH)2(H)2	C(CCCN)(NCHH)(H)2	C(CHHN)2(CH3)(NH3)	N(CCHH)2(H)2	115.0877	2.186	4	115.0877	4.779	4	114.0522	5.482	6	114.2208	4.720	10	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:4:4:	4:4:1:1:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C(NCHH)(CC3)(H)2	C(CHHN)(CH3)3	N(CCCH)(CCHH)(H)2	C(NCHH)(CC3)(H)2	C(CHHN)(CH3)3	N(CCCH)(CCHH)(H)2	112.7520	0.000	1	112.7520	0.000	1	114.4737	4.880	4	114.2208	4.720	10	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:4:4:	4:4:1:1:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C(NCHH)(CC3)(H)2	C(CHHN)(CH3)3	N(CC[6a]HH)(CCHH)(H)2	C(NCHH)(CC3)(H)2	C(CHHN)(CH3)3	N(CC[6a]HH)(CCHH)(H)2	117.6970	0.000	1	117.6970	0.000	1	114.4737	4.880	4	114.2208	4.720	10	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:4:4:	4:4:1:1:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C(NCHH)(CC3)(H)2	C(CHHN)2(CH3)2	N(CCHH)2(H)2	C(NCHH)(CC3)(H)2	C(CHHN)2(CH3)2	N(CCHH)2(H)2	113.7230	0.399	2	113.7230	0.159	2	114.4737	4.880	4	114.2208	4.720	10	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:4:4:	4:4:4:1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:S-4:	C-4:C-4:C-4:H-1:	C(CCCS)(NCCH)(H)2	C(CHHN)(CH3)2(SO3)	N(CCHH)2(CH3)(H)	C(CCCS)(NCCH)(H)2	C(CHHN)(CH3)2(SO3)	N(CCHH)2(CH3)(H)	112.2775	1.305	2	112.2775	1.702	2	112.2775	1.702	2	113.7618	2.861	6	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:4:4:	4:4:4:1:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:C-4:H-1:	C(NCCH)(CC3)(H)2	C(CHHN)2(CH3)2	N(CCHH)(CH3)2(H)	C(NCCH)(CC3)(H)2	C(CHHN)2(CH3)2	N(CCHH)(CH3)2(H)	113.6230	0.781	2	113.6230	0.609	2	114.5040	1.998	4	113.7618	2.861	6	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:4:4:	4:4:4:1:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:C-4:H-1:	C(NCCH)(CC3)(H)2	C(CHHN)3(CH3)	N(CC[6a]HH)(CCHH)2(H)	C(NCCH)(CC3)(H)2	C(CHHN)3(CH3)	N(CC[6a]HH)(CCHH)2(H)	114.3170	0.000	1	114.3170	0.000	1	114.5040	1.998	4	113.7618	2.861	6	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	4:4:4:4:	4:4:4:1:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:C-4:H-1:	C(NCCH)(CC3)(H)2	C(CHHN)3(CH3)	N(CC[6a]HH)2(CCHH)(H)	C(NCCH)(CC3)(H)2	C(CHHN)3(CH3)	N(CC[6a]HH)2(CCHH)(H)	116.4530	0.000	1	116.4530	0.000	1	114.5040	1.998	4	113.7618	2.861	6	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:1:1:	6:4:1:1:	4:4:4:4:	C-4:N-4:H-1:H-1:	C[5x3,5x5,20x6]-6:C-4:H-1:H-1:	C-4:C-4:C-4: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	N(CCHH)(CH3)3	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	N(CCHH)(CH3)3	115.9530	0.000	1	115.9530	0.000	1	115.9530	0.000	1	115.9530	0.000	1	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:2:1:	4:1:1:1:	4:4:4:4:	C-4:N-4:C-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CH3)(NC3)(CC)(H)	C(CCHN)(H)3	N(CCCH)(CH3)3	C(CH3)(NC3)(CC)(H)	C(CCHN)(H)3	N(CCCH)(CH3)3	114.0230	1.099	2	114.0230	1.207	2	114.0230	1.207	2	114.0230	1.207	2	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:2:1:	4:4:1:1:	3:4:4:1:	N-4:C-4:C-2:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C(NC[6a]CH)(CCHH)(CC)(H)	C(CCHH)(CCHN)(H)2	N(C[6a]C[6a]2)(CCCH)(CH3)(H)	C(NC[6a]CH)(CCHH)(CC)(H)	C(CCHH)(CCHN)(H)2	N(C[6a]C[6a]2)(CCCH)(CH3)(H)	110.6600	0.000	1	110.6600	0.000	1	110.6600	0.000	1	110.6600	0.000	1	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	2:4:1:1:	4:1:1:1:	C-4:N-4:C-3:H-1:	S-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)(NH3)(COO)(H)	C(SC[6a])(CCHN)(H)2	N(CCCH)(H)3	C(CHHS)(NH3)(COO)(H)	C(SC[6a])(CCHN)(H)2	N(CCCH)(H)3	110.8050	0.000	1	110.8050	0.000	1	110.8050	0.000	1	110.8050	0.000	1	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:3:4:1:	4:1:1:1:	C-4:N-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]2H)(NH3)(CNO)(H)	C(C[6a]C[6a]2)2(CCHN)(H)	N(CCCH)(H)3	C(CC[6a]2H)(NH3)(CNO)(H)	C(C[6a]C[6a]2)2(CCHN)(H)	N(CCCH)(H)3	111.5560	0.000	1	111.5560	0.000	1	111.5560	0.000	1	111.5560	0.000	1	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:1:1:1:	C-4:N-4:C-3:H-1:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NH3)(COO)(H)	C(CC[6a]O)(CCHN)(H)2	N(CCCH)(H)3	C(CCHH)(NH3)(COO)(H)	C(CC[6a]O)(CCHN)(H)2	N(CCCH)(H)3	112.6460	0.000	1	112.6460	0.000	1	112.6460	0.000	1	110.0883	2.451	194	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:1:1:1:	C-4:N-4:C-3:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(NH3)(COO)(H)	C(C[5]C[5]N[5])(CCHN)(H)2	N(CCCH)(H)3	C(CC[5]HH)(NH3)(COO)(H)	C(C[5]C[5]N[5])(CCHN)(H)2	N(CCCH)(H)3	110.5725	1.180	37	110.5725	1.392	37	110.5725	1.392	37	110.0883	2.451	194	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:1:1:1:	C-4:N-4:C-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]HH)(NH3)(CNO)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	N(CCCH)(H)3	C(CC[5a]HH)(NH3)(CNO)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	N(CCCH)(H)3	110.0670	0.752	4	110.0670	0.566	4	110.3118	1.020	38	110.0883	2.451	194	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:1:1:1:	C-4:N-4:C-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]HH)(NH3)(COO)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	N(CCCH)(H)3	C(CC[5a]HH)(NH3)(COO)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	N(CCCH)(H)3	110.3456	1.063	31	110.3456	1.131	31	110.3118	1.020	38	110.0883	2.451	194	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:1:1:1:	C-4:N-4:C-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]HH)(NH3)(COO)(H)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	N(CCCH)(H)3	C(CC[5a]HH)(NH3)(COO)(H)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	N(CCCH)(H)3	110.2890	0.956	3	110.2890	0.913	3	110.3118	1.020	38	110.0883	2.451	194	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:1:1:1:	C-4:N-4:C-3:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(NH3)(COO)(H)	C(C[6]C[6]N[6])(CCHN)(H)2	N(CCCH)(H)3	C(CC[6]HH)(NH3)(COO)(H)	C(C[6]C[6]N[6])(CCHN)(H)2	N(CCCH)(H)3	109.1280	0.000	1	109.1280	0.000	1	109.1280	0.000	1	110.0883	2.451	194	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:1:1:1:	C-4:N-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(NH3)(CNO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(H)3	C(CC[6a]HH)(NH3)(CNO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(H)3	109.1161	1.479	16	109.1161	2.187	16	109.8489	3.108	117	110.0883	2.451	194	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:1:1:1:	C-4:N-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(NH3)(COO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(H)3	C(CC[6a]HH)(NH3)(COO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(H)3	109.9650	1.783	101	109.9650	3.178	101	109.8489	3.108	117	110.0883	2.451	194	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:4:1:1:	C-4:N-4:C-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5a]HH)(NCHH)(COO)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	N(CC[6a]CH)(CCCH)(H)2	C(CC[5a]HH)(NCHH)(COO)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	N(CC[6a]CH)(CCCH)(H)2	110.4120	0.000	1	110.4120	0.000	1	110.4120	0.000	1	108.5770	3.684	5	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:4:1:1:	C-4:N-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(NCHH)(COO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CCHH)(H)2	C(CC[6a]HH)(NCHH)(COO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CCHH)(H)2	109.3140	1.788	2	109.3140	3.195	2	108.1183	3.509	4	108.5770	3.684	5	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:4:1:1:	C-4:N-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(NCHH)(COO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)2(H)2	C(CC[6a]HH)(NCHH)(COO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)2(H)2	106.9225	1.269	2	106.9225	1.611	2	108.1183	3.509	4	108.5770	3.684	5	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:1:1:	4:4:4:1:	C-4:N-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CC[6a]HH)(NCCH)(CClO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CH3)2(H)	C(CC[6a]HH)(NCCH)(CClO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CH3)2(H)	111.0220	0.000	1	111.0220	0.000	1	111.0220	0.000	1	111.0220	0.000	1	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:2:1:	4:1:1:1:	C-4:N-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(NH3)(CNO)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(CCCH)(H)3	C(CC[6a]HO)(NH3)(CNO)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(CCCH)(H)3	110.0500	0.000	1	110.0500	0.000	1	109.5710	3.321	3	109.5710	3.321	3	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	3:4:2:1:	4:1:1:1:	C-4:N-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(NH3)(COO)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(CCCH)(H)3	C(CC[6a]HO)(NH3)(COO)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(CCCH)(H)3	109.3315	2.510	2	109.3315	6.298	2	109.5710	3.321	3	109.5710	3.321	3	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	3:4:1:1:	N-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(NC[6a]HH)(CH3)(CCN)(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)(H)2	C(NC[6a]HH)(CH3)(CCN)(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)(H)2	112.4240	0.700	2	112.4240	0.490	2	112.4240	0.490	2	112.4240	0.490	2	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:1:1:1:	C-4:N-4:C-3:H-1:	C-4:Br-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CBrHH)(NH3)(COO)(H)	C(CCHN)(Br)(H)2	N(CCCH)(H)3	C(CBrHH)(NH3)(COO)(H)	C(CCHN)(Br)(H)2	N(CCCH)(H)3	111.7220	0.000	1	111.7220	0.000	1	111.7220	0.000	1	109.9670	0.433	113	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:1:1:1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)(NH3)(CNO)(H)	C(CCHN)(H)3	N(CCCH)(H)3	C(CH3)(NH3)(CNO)(H)	C(CCHN)(H)3	N(CCCH)(H)3	109.9411	0.506	28	109.9411	0.256	28	109.9310	0.366	111	109.9670	0.433	113	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:1:1:1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)(NH3)(COO)(H)	C(CCHN)(H)3	N(CCCH)(H)3	C(CH3)(NH3)(COO)(H)	C(CCHN)(H)3	N(CCCH)(H)3	109.9275	0.638	83	109.9275	0.407	83	109.9310	0.366	111	109.9670	0.433	113	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:1:1:1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:S-1:	C-4:H-1:H-1:H-1:	C(CHHS)(NH3)(COO)(H)	C(CCHN)(H)2(S)	N(CCCH)(H)3	C(CHHS)(NH3)(COO)(H)	C(CCHN)(H)2(S)	N(CCCH)(H)3	112.2120	0.000	1	112.2120	0.000	1	112.2120	0.000	1	109.9670	0.433	113	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:1:	N-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C(NCHH)(CH3)(CCH)(H)	C(CCHN)(H)3	N(CCCH)(CH3)(H)2	C(NCHH)(CH3)(CCH)(H)	C(CCHN)(H)3	N(CCCH)(CH3)(H)2	107.4787	0.311	4	107.4787	0.096	4	109.7418	2.306	19	109.7418	2.306	19	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:1:	N-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C(NCHH)(CH3)(CCH)(H)	C(CCHN)(H)3	N(CCCH)2(H)2	C(NCHH)(CH3)(CCH)(H)	C(CCHN)(H)3	N(CCCH)2(H)2	109.9740	0.000	1	109.9740	0.000	1	109.7418	2.306	19	109.7418	2.306	19	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:1:	N-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C(NCHH)(CH3)(COO)(H)	C(CCHN)(H)3	N(CCCH)(CHHP)(H)2	C(NCHH)(CH3)(COO)(H)	C(CCHN)(H)3	N(CCCH)(CHHP)(H)2	111.1059	0.402	8	111.1059	0.162	8	109.7418	2.306	19	109.7418	2.306	19	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:1:	N-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C(NCHH)(CH3)(COO)(H)	C(CCHN)(H)3	N(CC[5a]HH)(CCCH)(H)2	C(NCHH)(CH3)(COO)(H)	C(CCHN)(H)3	N(CC[5a]HH)(CCCH)(H)2	110.3120	1.114	2	110.3120	1.242	2	109.7418	2.306	19	109.7418	2.306	19	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:1:1:1:	4:4:1:1:	N-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C(NCHH)(CH3)(COO)(H)	C(CCHN)(H)3	N(CC[6a]HH)(CCCH)(H)2	C(NCHH)(CH3)(COO)(H)	C(CCHN)(H)3	N(CC[6a]HH)(CCCH)(H)2	108.9335	0.222	4	108.9335	0.049	4	109.7418	2.306	19	109.7418	2.306	19	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:1:1:1:	C-4:N-4:C-3:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(NH3)(CNO)(H)	C(CCHN)(OH)(H)2	N(CCCH)(H)3	C(CHHO)(NH3)(CNO)(H)	C(CCHN)(OH)(H)2	N(CCCH)(H)3	109.5834	0.866	7	109.5834	0.750	7	110.6751	1.503	69	110.7383	1.312	114	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:1:1:1:	C-4:N-4:C-3:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(NH3)(COO)(H)	C(CCHN)(OH)(H)2	N(CCCH)(H)3	C(CHHO)(NH3)(COO)(H)	C(CCHN)(OH)(H)2	N(CCCH)(H)3	111.1518	1.196	46	111.1518	1.431	46	110.6751	1.503	69	110.7383	1.312	114	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:1:1:1:	C-4:N-4:C-3:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(NH3)(COO)(H)	C(CCHN)(OP)(H)2	N(CCCH)(H)3	C(CHHO)(NH3)(COO)(H)	C(CCHN)(OP)(H)2	N(CCCH)(H)3	109.7820	0.342	16	109.7820	0.117	16	110.6751	1.503	69	110.7383	1.312	114	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:1:1:1:	C-4:N-4:C-3:H-1:	C-4:S-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)(NH3)(COO)(H)	C(CCHN)(SC)(H)2	N(CCCH)(H)3	C(CHHS)(NH3)(COO)(H)	C(CCHN)(SC)(H)2	N(CCCH)(H)3	109.3540	1.484	5	109.3540	2.203	5	110.8083	1.021	44	110.7383	1.312	114	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:1:1:1:	C-4:N-4:C-3:H-1:	C-4:S-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)(NH3)(COO)(H)	C(CCHN)(SH)(H)2	N(CCCH)(H)3	C(CHHS)(NH3)(COO)(H)	C(CCHN)(SH)(H)2	N(CCCH)(H)3	110.9271	0.551	28	110.9271	0.303	28	110.8083	1.021	44	110.7383	1.312	114	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:1:1:1:	C-4:N-4:C-3:H-1:	C-4:S-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)(NH3)(COO)(H)	C(CCHN)(SS)(H)2	N(CCCH)(H)3	C(CHHS)(NH3)(COO)(H)	C(CCHN)(SS)(H)2	N(CCCH)(H)3	111.1666	1.205	11	111.1666	1.452	11	110.8083	1.021	44	110.7383	1.312	114	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:1:1:1:	C-4:N-4:C-3:H-1:	C-4:Se-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CSeHH)(NH3)(COO)(H)	C(CCHN)(SeSe)(H)2	N(CCCH)(H)3	C(CSeHH)(NH3)(COO)(H)	C(CCHN)(SeSe)(H)2	N(CCCH)(H)3	112.0190	0.000	1	112.0190	0.000	1	112.0190	0.000	1	110.7383	1.312	114	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:2:1:1:	4:4:1:1:	C-4:N-4:C-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CHHO)(NCHH)(COO)(H)	C(CCHN)(OH)(H)2	N(CC[6a]HH)(CCCH)(H)2	C(CHHO)(NCHH)(COO)(H)	C(CCHN)(OH)(H)2	N(CC[6a]HH)(CCCH)(H)2	107.6630	0.000	1	107.6630	0.000	1	107.6630	0.000	1	107.6630	0.000	1	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:1:1:1:	C-4:N-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NH3)(CNO)(H)	C(CCHN)(CNO)(H)2	N(CCCH)(H)3	C(CCHH)(NH3)(CNO)(H)	C(CCHN)(CNO)(H)2	N(CCCH)(H)3	110.5910	0.729	3	110.5910	0.532	3	111.3839	0.980	33	111.3839	0.980	33	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:1:1:1:	C-4:N-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NH3)(CNO)(H)	C(CCHN)(COO)(H)2	N(CCCH)(H)3	C(CCHH)(NH3)(CNO)(H)	C(CCHN)(COO)(H)2	N(CCCH)(H)3	112.5535	0.521	2	112.5535	0.272	2	111.3839	0.980	33	111.3839	0.980	33	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:1:1:1:	C-4:N-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NH3)(COO)(H)	C(CCHN)(CCH)(H)2	N(CCCH)(H)3	C(CCHH)(NH3)(COO)(H)	C(CCHN)(CCH)(H)2	N(CCCH)(H)3	110.3265	0.221	2	110.3265	0.049	2	111.3839	0.980	33	111.3839	0.980	33	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:1:1:1:	C-4:N-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NH3)(COO)(H)	C(CCHN)(CNO)(H)2	N(CCCH)(H)3	C(CCHH)(NH3)(COO)(H)	C(CCHN)(CNO)(H)2	N(CCCH)(H)3	111.5578	1.125	11	111.5578	1.267	11	111.3839	0.980	33	111.3839	0.980	33	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:1:1:1:	C-4:N-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NH3)(COO)(H)	C(CCHN)(COO)(H)2	N(CCCH)(H)3	C(CCHH)(NH3)(COO)(H)	C(CCHN)(COO)(H)2	N(CCCH)(H)3	111.4001	0.850	15	111.4001	0.722	15	111.3839	0.980	33	111.3839	0.980	33	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:4:1:1:	C-4:N-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(NCHH)(CNO)(H)	C(CCHN)(COO)(H)2	N(CCCH)(CCHH)(H)2	C(CCHH)(NCHH)(CNO)(H)	C(CCHN)(COO)(H)2	N(CCCH)(CCHH)(H)2	110.2750	0.406	3	110.2750	0.165	3	110.7846	1.169	5	110.7846	1.169	5	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:4:1:1:	C-4:N-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(NCHH)(COO)(H)	C(CCHN)(CHH)(H)2	N(CC[6a]HH)(CCCH)(H)2	C(CCHH)(NCHH)(COO)(H)	C(CCHN)(CHH)(H)2	N(CC[6a]HH)(CCCH)(H)2	112.6440	0.000	1	112.6440	0.000	1	110.7846	1.169	5	110.7846	1.169	5	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:3:1:1:	4:4:1:1:	C-4:N-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(NCHH)(COO)(H)	C(CCHN)(COO)(H)2	N(CCCH)(CH3)(H)2	C(CCHH)(NCHH)(COO)(H)	C(CCHN)(COO)(H)2	N(CCCH)(CH3)(H)2	110.4540	0.000	1	110.4540	0.000	1	110.7846	1.169	5	110.7846	1.169	5	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NH3)(CNO)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(H)3	C(CCHH)(NH3)(CNO)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(H)3	110.2097	1.464	18	110.2097	2.145	18	110.3140	2.215	241	110.3629	2.249	248	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NH3)(CNO)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(H)3	C(CCHH)(NH3)(CNO)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(H)3	111.1020	1.116	8	111.1020	1.245	8	110.3140	2.215	241	110.3629	2.249	248	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NH3)(CNO)(H)	C(CCHN)(CHHS)(H)2	N(CCCH)(H)3	C(CCHH)(NH3)(CNO)(H)	C(CCHN)(CHHS)(H)2	N(CCCH)(H)3	108.4770	0.000	1	108.4770	0.000	1	110.3140	2.215	241	110.3629	2.249	248	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NH3)(CNO)(H)	C(CC[6a]HH)(CCHN)(H)2	N(CCCH)(H)3	C(CCHH)(NH3)(CNO)(H)	C(CC[6a]HH)(CCHN)(H)2	N(CCCH)(H)3	109.9753	0.211	3	109.9753	0.045	3	110.3140	2.215	241	110.3629	2.249	248	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NH3)(COO)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(H)3	C(CCHH)(NH3)(COO)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(H)3	109.8591	1.623	55	109.8591	2.635	55	110.3140	2.215	241	110.3629	2.249	248	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NH3)(COO)(H)	C(CCFH)(CCHN)(H)2	N(CCCH)(H)3	C(CCHH)(NH3)(COO)(H)	C(CCFH)(CCHN)(H)2	N(CCCH)(H)3	107.9485	0.175	2	107.9485	0.031	2	110.3140	2.215	241	110.3629	2.249	248	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NH3)(COO)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(H)3	C(CCHH)(NH3)(COO)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(H)3	110.4397	1.569	98	110.4397	2.463	98	110.3140	2.215	241	110.3629	2.249	248	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NH3)(COO)(H)	C(CCHN)(CCHP)(H)2	N(CCCH)(H)3	C(CCHH)(NH3)(COO)(H)	C(CCHN)(CCHP)(H)2	N(CCCH)(H)3	112.7110	0.000	1	112.7110	0.000	1	110.3140	2.215	241	110.3629	2.249	248	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NH3)(COO)(H)	C(CCHN)(CH3)(H)2	N(CCCH)(H)3	C(CCHH)(NH3)(COO)(H)	C(CCHN)(CH3)(H)2	N(CCCH)(H)3	110.1924	1.151	19	110.1924	1.324	19	110.3140	2.215	241	110.3629	2.249	248	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NH3)(COO)(H)	C(CCHN)(CHHO)(H)2	N(CCCH)(H)3	C(CCHH)(NH3)(COO)(H)	C(CCHN)(CHHO)(H)2	N(CCCH)(H)3	108.7820	0.066	2	108.7820	0.004	2	110.3140	2.215	241	110.3629	2.249	248	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NH3)(COO)(H)	C(CCHN)(CHHS)(H)2	N(CCCH)(H)3	C(CCHH)(NH3)(COO)(H)	C(CCHN)(CHHS)(H)2	N(CCCH)(H)3	110.9700	0.733	31	110.9700	0.537	31	110.3140	2.215	241	110.3629	2.249	248	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NH3)(COO)(H)	C(CC[6a]HH)(CCHN)(H)2	N(CCCH)(H)3	C(CCHH)(NH3)(COO)(H)	C(CC[6a]HH)(CCHN)(H)2	N(CCCH)(H)3	108.8190	0.000	1	108.8190	0.000	1	110.3140	2.215	241	110.3629	2.249	248	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NH3)(COO)(H)	C(CS[5]HH)(CCHN)(H)2	N(CCCH)(H)3	C(CCHH)(NH3)(COO)(H)	C(CS[5]HH)(CCHN)(H)2	N(CCCH)(H)3	108.5940	0.000	1	108.5940	0.000	1	110.3140	2.215	241	110.3629	2.249	248	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NH3)(COO)(H)	C(CSeHH)(CCHN)(H)2	N(CCCH)(H)3	C(CCHH)(NH3)(COO)(H)	C(CSeHH)(CCHN)(H)2	N(CCCH)(H)3	112.0350	0.000	1	112.0350	0.000	1	110.3140	2.215	241	110.3629	2.249	248	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:N-4:C-3:H-1:	C-4:P-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)(NH3)(COO)(H)	C(CCHN)(PHOO)(H)2	N(CCCH)(H)3	C(CHHP)(NH3)(COO)(H)	C(CCHN)(PHOO)(H)2	N(CCCH)(H)3	110.3420	0.000	1	110.3420	0.000	1	110.3420	0.000	1	110.3629	2.249	248	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:N-4:C-3:H-1:	C-4:S-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)(NH3)(COO)(H)	C(CCHN)(SO3)(H)2	N(CCCH)(H)3	C(CHHS)(NH3)(COO)(H)	C(CCHN)(SO3)(H)2	N(CCCH)(H)3	112.3430	0.124	5	112.3430	0.015	5	112.3430	0.015	5	110.3629	2.249	248	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:N-4:C-3:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(NH3)(COO)(H)	C(C[5]C[5]O[5]C)(CCHN)(H)2	N(CCCH)(H)3	C(CC[5]HH)(NH3)(COO)(H)	C(C[5]C[5]O[5]C)(CCHN)(H)2	N(CCCH)(H)3	112.2600	0.000	1	112.2600	0.000	1	112.2600	0.000	1	110.3629	2.249	248	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:1:1:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(NCHH)(CNO)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(CH3)(H)2	C(CCHH)(NCHH)(CNO)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(CH3)(H)2	108.0170	0.000	1	108.0170	0.000	1	108.8718	4.050	10	108.8718	4.050	10	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:1:1:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(NCHH)(CNO)(H)	C(CC[6a]HH)(CCHN)(H)2	N(CCCH)(CCHH)(H)2	C(CCHH)(NCHH)(CNO)(H)	C(CC[6a]HH)(CCHN)(H)2	N(CCCH)(CCHH)(H)2	110.4180	0.000	1	110.4180	0.000	1	108.8718	4.050	10	108.8718	4.050	10	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:1:1:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(NCHH)(COO)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)2(H)2	C(CCHH)(NCHH)(COO)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)2(H)2	106.9295	1.115	2	106.9295	1.243	2	108.8718	4.050	10	108.8718	4.050	10	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:1:1:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(NCHH)(COO)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)2(H)2	C(CCHH)(NCHH)(COO)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)2(H)2	108.8613	3.057	3	108.8613	9.343	3	108.8718	4.050	10	108.8718	4.050	10	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:1:1:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(NCHH)(COO)(H)	C(CCHH)(CCHN)(H)2	N(CC[6a]HH)(CCCH)(H)2	C(CCHH)(NCHH)(COO)(H)	C(CCHH)(CCHN)(H)2	N(CC[6a]HH)(CCCH)(H)2	109.3340	0.373	2	109.3340	0.139	2	108.8718	4.050	10	108.8718	4.050	10	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:1:1:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(NCHH)(COO)(H)	C(CC[6a]HH)(CCHN)(H)2	N(CCCH)2(H)2	C(CCHH)(NCHH)(COO)(H)	C(CC[6a]HH)(CCHN)(H)2	N(CCCH)2(H)2	111.1720	0.000	1	111.1720	0.000	1	108.8718	4.050	10	108.8718	4.050	10	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:4:1:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCHH)(NCCH)(CCH)(H)	C(CCHH)(CCHN)(H)2	N(CC[6a]HH)2(CCCH)(H)	C(CCHH)(NCCH)(CCH)(H)	C(CCHH)(CCHN)(H)2	N(CC[6a]HH)2(CCCH)(H)	109.6670	0.000	1	109.6670	0.000	1	110.5687	1.295	3	110.5687	1.295	3	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:1:1:	4:4:4:1:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCHH)(NCCH)(CCH)(H)	C(CCHN)(CHHN)(H)2	N(CC[6a]HH)2(CCCH)(H)	C(CCHH)(NCCH)(CCH)(H)	C(CCHN)(CHHN)(H)2	N(CC[6a]HH)2(CCCH)(H)	111.0195	1.170	2	111.0195	1.370	2	110.5687	1.295	3	110.5687	1.295	3	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:2:1:	4:1:1:1:	C-4:N-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(NH3)(CNO)(H)	C(CCHN)(CH3)(OH)(H)	N(CCCH)(H)3	C(CCHO)(NH3)(CNO)(H)	C(CCHN)(CH3)(OH)(H)	N(CCCH)(H)3	110.2230	0.000	1	110.2230	0.000	1	109.8150	1.885	32	109.8150	1.885	32	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:2:1:	4:1:1:1:	C-4:N-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(NH3)(COO)(H)	C(CCHN)(CH3)(OH)(H)	N(CCCH)(H)3	C(CCHO)(NH3)(COO)(H)	C(CCHN)(CH3)(OH)(H)	N(CCCH)(H)3	109.6446	1.355	28	109.6446	1.837	28	109.8150	1.885	32	109.8150	1.885	32	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:2:1:	4:1:1:1:	C-4:N-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(NH3)(COO)(H)	C(CCHN)(CH3)(OP)(H)	N(CCCH)(H)3	C(CCHO)(NH3)(COO)(H)	C(CCHN)(CH3)(OP)(H)	N(CCCH)(H)3	111.7645	0.175	2	111.7645	0.031	2	109.8150	1.885	32	109.8150	1.885	32	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:2:1:	4:1:1:1:	C-4:N-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(NH3)(COO)(H)	C(CC[6]HH)(CCHN)(OC)(H)	N(CCCH)(H)3	C(CCHO)(NH3)(COO)(H)	C(CC[6]HH)(CCHN)(OC)(H)	N(CCCH)(H)3	110.2800	0.000	1	110.2800	0.000	1	109.8150	1.885	32	109.8150	1.885	32	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:2:1:	4:4:1:1:	C-4:N-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHO)(NCHH)(CCH)(H)	C(CCHN)(CCHO)(OH)(H)	N(CCCH)2(H)2	C(CCHO)(NCHH)(CCH)(H)	C(CCHN)(CCHO)(OH)(H)	N(CCCH)2(H)2	108.2490	0.000	1	108.2490	0.000	1	108.2490	0.000	1	108.2490	0.000	1	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:1:1:1:	C-4:N-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(NH3)(CNO)(H)	C(CCHH)(CCHN)(CH3)(H)	N(CCCH)(H)3	C(CCCH)(NH3)(CNO)(H)	C(CCHH)(CCHN)(CH3)(H)	N(CCCH)(H)3	110.6288	1.655	5	110.6288	2.739	5	111.1650	2.135	72	111.1650	2.135	72	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:1:1:1:	C-4:N-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(NH3)(CNO)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(H)3	C(CCCH)(NH3)(CNO)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(H)3	110.8880	1.274	6	110.8880	1.622	6	111.1650	2.135	72	111.1650	2.135	72	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:1:1:1:	C-4:N-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(NH3)(COO)(H)	C(CCHH)(CCHN)(CH3)(H)	N(CCCH)(H)3	C(CCCH)(NH3)(COO)(H)	C(CCHH)(CCHN)(CH3)(H)	N(CCCH)(H)3	110.8366	1.050	30	110.8366	1.102	30	111.1650	2.135	72	111.1650	2.135	72	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:1:1:1:	C-4:N-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(NH3)(COO)(H)	C(CCHH)(CCHN)(CHHP)(H)	N(CCCH)(H)3	C(CCCH)(NH3)(COO)(H)	C(CCHH)(CCHN)(CHHP)(H)	N(CCCH)(H)3	111.5595	2.889	2	111.5595	8.344	2	111.1650	2.135	72	111.1650	2.135	72	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:1:1:1:	C-4:N-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(NH3)(COO)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(H)3	C(CCCH)(NH3)(COO)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(H)3	111.6272	1.696	29	111.6272	2.877	29	111.1650	2.135	72	111.1650	2.135	72	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:4:1:1:	C-4:N-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(NCHH)(CNO)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CH3)(H)2	C(CCCH)(NCHH)(CNO)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CH3)(H)2	111.7690	0.000	1	111.7690	0.000	1	110.2930	1.820	8	110.4517	1.819	9	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:4:1:1:	C-4:N-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(NCHH)(COO)(H)	C(CCHH)(CCHN)(CH3)(H)	N(CCCH)(CCHH)(H)2	C(CCCH)(NCHH)(COO)(H)	C(CCHH)(CCHN)(CH3)(H)	N(CCCH)(CCHH)(H)2	111.0770	0.000	1	111.0770	0.000	1	110.2930	1.820	8	110.4517	1.819	9	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:4:1:1:	C-4:N-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(NCHH)(COO)(H)	C(CCHH)(CCHN)(CH3)(H)	N(CC[6a]HH)(CCCH)(H)2	C(CCCH)(NCHH)(COO)(H)	C(CCHH)(CCHN)(CH3)(H)	N(CC[6a]HH)(CCCH)(H)2	109.1610	0.000	1	109.1610	0.000	1	110.2930	1.820	8	110.4517	1.819	9	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:4:1:1:	C-4:N-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(NCHH)(COO)(H)	C(CCHN)(CH3)2(H)	N(CCCH)2(H)2	C(CCCH)(NCHH)(COO)(H)	C(CCHN)(CH3)2(H)	N(CCCH)2(H)2	109.6775	0.626	2	109.6775	0.392	2	110.2930	1.820	8	110.4517	1.819	9	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:4:1:1:	C-4:N-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(NCHH)(COO)(H)	C(CCHN)(CH3)2(H)	N(CC[6a]HH)(CCCH)(H)2	C(CCCH)(NCHH)(COO)(H)	C(CCHN)(CH3)2(H)	N(CC[6a]HH)(CCCH)(H)2	110.3273	1.938	3	110.3273	3.755	3	110.2930	1.820	8	110.4517	1.819	9	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:4:1:	4:4:1:1:	N-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C(NC[5]HH)(CCCH)(COO)(H)	C(CCHH)(CCHN)(CH3)(H)	N(C[5]C[5]2H)(CCCH)(H)2	C(NC[5]HH)(CCCH)(COO)(H)	C(CCHH)(CCHN)(CH3)(H)	N(C[5]C[5]2H)(CCCH)(H)2	111.7210	0.000	1	111.7210	0.000	1	111.7210	0.000	1	110.4517	1.819	9	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:4:2:	4:1:1:1:	C-4:N-4:C-3:H-1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CCCO)(NH3)(COO)(H)	C(CCHN)(CFFH)(CH3)(OH)	N(CCCH)(H)3	C(CCCO)(NH3)(COO)(H)	C(CCHN)(CFFH)(CH3)(OH)	N(CCCH)(H)3	109.9520	0.000	1	109.9520	0.000	1	109.9520	0.000	1	109.9520	0.000	1	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:1:	4:4:4:2:	4:4:1:1:	C-4:N-4:C-3:H-1:	C-4:C-4:C-4:S-2:	C-4:C-4:H-1:H-1:	C(CCCS)(NCHH)(COO)(H)	C(CCHN)(CH3)2(SC)	N(CC[6a]HH)(CCCH)(H)2	C(CCCS)(NCHH)(COO)(H)	C(CCHN)(CH3)2(SC)	N(CC[6a]HH)(CCCH)(H)2	110.9415	0.698	2	110.9415	0.487	2	110.9415	0.487	2	110.9415	0.487	2	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:3:3:	4:3:1:1:	4:4:1:1:	C-4:N-4:C-3:C-3:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CHHN)(NCHH)(CHN)2	C(CCCN)(NCuC)(H)2	N(CCHH)(CC3)(H)2	C(CHHN)(NCHH)(CHN)2	C(CCCN)(NCuC)(H)2	N(CCHH)(CC3)(H)2	103.2630	0.000	1	103.2630	0.000	1	103.2630	0.000	1	103.2630	0.000	1	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	2:4:1:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)(NH3)(H)	C(OC[6a])(CCHN)(H)2	N(CCCH)(H)3	C(CHHO)(CH3)(NH3)(H)	C(OC[6a])(CCHN)(H)2	N(CCCH)(H)3	109.7030	0.000	1	109.7030	0.000	1	109.7030	0.000	1	109.7030	0.000	1	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	2:4:1:1:	4:4:1:1:	C-4:N-4:C-4:H-1:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CHHO)(NCHH)(CH3)(H)	C(OC[6a])(CCHN)(H)2	N(CCCH)2(H)2	C(CHHO)(NCHH)(CH3)(H)	C(OC[6a])(CCHN)(H)2	N(CCCH)2(H)2	112.2830	0.000	1	112.2830	0.000	1	112.2830	0.000	1	112.2830	0.000	1	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CHHO)(NH3)(H)	C(C[5]C[5]N[5])(CCHN)(H)2	N(CCCH)(H)3	C(CC[5]HH)(CHHO)(NH3)(H)	C(C[5]C[5]N[5])(CCHN)(H)2	N(CCCH)(H)3	108.1277	0.203	6	108.1277	0.041	6	108.1277	0.041	6	109.0351	0.939	26	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]HH)(CHHO)(NH3)(H)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	N(CCCH)(H)3	C(CC[5a]HH)(CHHO)(NH3)(H)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	N(CCCH)(H)3	108.2660	0.000	1	108.2660	0.000	1	108.2660	0.000	1	109.0351	0.939	26	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CCHH)(NH3)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(H)3	C(CC[6a]HH)(CCHH)(NH3)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(H)3	110.0260	1.114	4	110.0260	1.241	4	109.3492	0.921	18	109.0351	0.939	26	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CH3)(NH3)(H)	C(C[6a]C[5a,6a]2)(CCHN)(H)2	N(CCCH)(H)3	C(CC[6a]HH)(CH3)(NH3)(H)	C(C[6a]C[5a,6a]2)(CCHN)(H)2	N(CCCH)(H)3	109.5950	0.000	1	109.5950	0.000	1	109.3492	0.921	18	109.0351	0.939	26	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CH3)(NH3)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(H)3	C(CC[6a]HH)(CH3)(NH3)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(H)3	109.1221	0.883	13	109.1221	0.780	13	109.3492	0.921	18	109.0351	0.939	26	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[6]HH)(CCCH)(NH3)(H)	C(N[6]C[6]2)(CCHN)(H)2	N(CCCH)(H)3	C(CN[6]HH)(CCCH)(NH3)(H)	C(N[6]C[6]2)(CCHN)(H)2	N(CCCH)(H)3	109.5940	0.000	1	109.5940	0.000	1	109.5940	0.000	1	109.0351	0.939	26	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:N-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(NCHH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(NCHH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CCHH)(H)2	109.8200	1.857	2	109.8200	3.448	2	109.0540	3.484	3	108.5514	1.788	11	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:N-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CHHO)(NCHH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[5]HH)(CCCH)(H)2	C(CC[6a]HH)(CHHO)(NCHH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[5]HH)(CCCH)(H)2	107.5220	0.000	1	107.5220	0.000	1	109.0540	3.484	3	108.5514	1.788	11	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	3:4:1:1:	4:4:1:1:	C-4:N-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(NCHH)(CH3)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CCHH)(H)2	C(CC[6a]HH)(NCHH)(CH3)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CCHH)(H)2	108.7018	1.030	5	108.7018	1.060	5	108.3629	1.410	8	108.5514	1.788	11	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	3:4:1:1:	4:4:1:1:	C-4:N-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(NCHH)(CH3)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CH3)(H)2	C(CC[6a]HH)(NCHH)(CH3)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CH3)(H)2	107.7980	1.431	3	107.7980	2.048	3	108.3629	1.410	8	108.5514	1.788	11	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	3:4:1:1:	4:4:4:1:	C-4:N-4:C-4:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CN[5]HH)(NCCH)(CH3)(H)	C(N[5]C[5,6a]C[5])(CCHN)(H)2	N(CC[6a]HH)(CCCH)(CCHH)(H)	C(CN[5]HH)(NCCH)(CH3)(H)	C(N[5]C[5,6a]C[5])(CCHN)(H)2	N(CC[6a]HH)(CCCH)(CCHH)(H)	114.4310	0.000	1	114.4310	0.000	1	114.4310	0.000	1	109.8736	2.925	14	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	3:4:1:1:	4:4:4:1:	C-4:N-4:C-4:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CN[6]HH)(NCCH)(CH3)(H)	C(N[6]C[6,6a]2)(CCHN)(H)2	N(CCCH)(CCHH)2(H)	C(CN[6]HH)(NCCH)(CH3)(H)	C(N[6]C[6,6a]2)(CCHN)(H)2	N(CCCH)(CCHH)2(H)	110.2180	0.000	1	110.2180	0.000	1	109.2859	0.627	12	109.8736	2.925	14	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	3:4:1:1:	4:4:4:1:	C-4:N-4:C-4:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CN[6]HH)(NCCH)(CH3)(H)	C(N[6]C[6,6a]2)(CCHN)(H)2	N(CCCH)(CH3)2(H)	C(CN[6]HH)(NCCH)(CH3)(H)	C(N[6]C[6,6a]2)(CCHN)(H)2	N(CCCH)(CH3)2(H)	109.2012	0.771	11	109.2012	0.594	11	109.2859	0.627	12	109.8736	2.925	14	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	3:4:1:1:	4:4:4:1:	C-4:N-4:P-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CC[6a]HH)(NCCH)(PHOO)(H)	C(C[6a]C[6a]2)(CHNP)(H)2	N(CC[6a]HH)2(CCHP)(H)	C(CC[6a]HH)(NCCH)(PHOO)(H)	C(C[6a]C[6a]2)(CHNP)(H)2	N(CC[6a]HH)2(CCHP)(H)	112.3680	0.000	1	112.3680	0.000	1	112.3680	0.000	1	109.8736	2.925	14	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	3:4:1:1:	4:4:4:4:	C-4:C-4:N-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CC[6a]HH)(CHHO)(NC3)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CH3)3	C(CC[6a]HH)(CHHO)(NC3)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CH3)3	111.1665	0.654	2	111.1665	0.428	2	111.1665	0.428	2	111.1665	0.428	2	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CH3)(NH3)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(CCCH)(H)3	C(CC[6a]HO)(CH3)(NH3)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(CCCH)(H)3	109.1790	0.000	1	109.1790	0.000	1	109.1790	0.000	1	109.1790	0.000	1	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	3:4:2:1:	4:4:1:1:	C-4:N-4:C-4:H-1:	C[6]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HO)(NCHH)(CH3)(H)	C(C[6]C[6]2)(CCHN)(OH)(H)	N(CCCH)(CH3)(H)2	C(CC[6]HO)(NCHH)(CH3)(H)	C(C[6]C[6]2)(CCHN)(OH)(H)	N(CCCH)(CH3)(H)2	110.4745	0.713	2	110.4745	0.509	2	110.4745	0.509	2	108.4855	1.941	41	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	3:4:2:1:	4:4:1:1:	C-4:N-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HO)(NCHH)(CH3)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(CCCH)(CH3)(H)2	C(CC[6a]HO)(NCHH)(CH3)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(CCCH)(CH3)(H)2	108.3684	1.361	38	108.3684	1.851	38	108.3835	1.811	39	108.4855	1.941	41	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	3:4:2:1:	4:4:1:1:	C-4:N-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HO)(NCHH)(CH3)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(CCCH)2(H)2	C(CC[6a]HO)(NCHH)(CH3)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(CCCH)2(H)2	108.9590	0.000	1	108.9590	0.000	1	108.3835	1.811	39	108.4855	1.941	41	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	3:4:2:1:	4:4:4:1:	C-4:C-4:N-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C(CC[6a]HO)(CHHO)(NCCH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(CCCH)(CH3)2(H)	C(CC[6a]HO)(CHHO)(NCCH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(CCCH)(CH3)2(H)	110.6455	1.747	6	110.6455	3.052	6	110.6455	3.052	6	111.1215	1.609	46	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	3:4:2:1:	4:4:4:1:	C-4:N-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C(CC[6a]HO)(NCCH)(CH3)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(CCCH)(CH3)2(H)	C(CC[6a]HO)(NCCH)(CH3)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(CCCH)(CH3)2(H)	111.1929	1.194	40	111.1929	1.425	40	111.1929	1.425	40	111.1215	1.609	46	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	3:4:2:1:	4:4:4:4:	C-4:C-4:N-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C(CC[6a]HO)(CH3)(NC3)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(CC[6]HH)(CCCH)(CH3)2	C(CC[6a]HO)(CH3)(NC3)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(CC[6]HH)(CCCH)(CH3)2	112.9970	0.000	1	112.9970	0.000	1	113.3715	0.281	2	113.3715	0.281	2	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	3:4:2:1:	4:4:4:4:	C-4:C-4:N-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C(CC[6a]HO)(CH3)(NC3)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(CC[6a]HH)2(CCCH)(CH3)	C(CC[6a]HO)(CH3)(NC3)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(CC[6a]HH)2(CCCH)(CH3)	113.7460	0.000	1	113.7460	0.000	1	113.3715	0.281	2	113.3715	0.281	2	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	3:4:3:1:	4:4:1:1:	C-4:C-4:N-4:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]CH)(CCHH)(NCHH)(H)	C(C[6a]C[6a]2)(CCHN)(COO)(H)	N(CC[6a]HH)(CCCH)(H)2	C(CC[6a]CH)(CCHH)(NCHH)(H)	C(C[6a]C[6a]2)(CCHN)(COO)(H)	N(CC[6a]HH)(CCCH)(H)2	111.7010	0.000	1	111.7010	0.000	1	111.7010	0.000	1	111.7010	0.000	1	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	3:4:4:1:	3:4:1:1:	C-4:N-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]CH)(NC[6a]HH)(CH3)(H)	C(C[6a]C[6a]2)(CCHN)(CHHN)(H)	N(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]CH)(NC[6a]HH)(CH3)(H)	C(C[6a]C[6a]2)(CCHN)(CHHN)(H)	N(C[6a]C[6a]2)(CCCH)(H)2	111.3290	0.000	1	111.3290	0.000	1	111.3290	0.000	1	111.3290	0.000	1	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CH3)(NH3)(H)	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	N(CCCH)(H)3	C(CC[6a]CH)(CH3)(NH3)(H)	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	N(CCCH)(H)3	109.8400	0.000	1	109.8400	0.000	1	109.8400	0.000	1	109.8400	0.000	1	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:1:1:1:	3:4:1:1:	C-4:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]CH)(NC[6a]HH)(CH3)(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]CH)(NC[6a]HH)(CH3)(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)(H)2	110.1680	0.000	1	110.1680	0.000	1	110.1680	0.000	1	108.4617	5.799	3	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:1:1:1:	3:4:1:1:	C[5]-4:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(C[5]C[5,6a]C[5]H)(NC[6a]HH)(CH3)(H)	C(CC[5]HN)(H)3	N(C[6a]C[6a]2)(CC[5]CH)(H)2	C(C[5]C[5,6a]C[5]H)(NC[6a]HH)(CH3)(H)	C(CC[5]HN)(H)3	N(C[6a]C[6a]2)(CC[5]CH)(H)2	105.7070	0.000	1	105.7070	0.000	1	105.7070	0.000	1	108.4617	5.799	3	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:1:1:1:	3:4:1:1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(NC[6a]HH)(CCCH)(CH3)(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)(H)2	C(NC[6a]HH)(CCCH)(CH3)(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)(H)2	109.5100	0.000	1	109.5100	0.000	1	109.5100	0.000	1	108.4617	5.799	3	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:1:1:1:	3:4:4:1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:B-4:C-4:H-1:	C(NC[6a]BH)(CH3)2(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(BC[6a]3)(CCCH)(H)	C(NC[6a]BH)(CH3)2(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(BC[6a]3)(CCCH)(H)	111.3365	2.911	4	111.3365	8.474	4	111.3365	8.474	4	110.3484	4.111	10	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:1:1:1:	3:4:4:1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C(NC[6a]CH)(CCHH)(CH3)(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CC[6a]HH)(CCCH)(H)	C(NC[6a]CH)(CCHH)(CH3)(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CC[6a]HH)(CCCH)(H)	108.6620	0.000	2	108.6620	0.000	2	109.6897	1.013	6	110.3484	4.111	10	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:1:1:1:	3:4:4:1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C(NC[6a]CH)(CH3)2(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)(CH3)(H)	C(NC[6a]CH)(CH3)2(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)(CH3)(H)	110.2035	0.795	4	110.2035	0.633	4	109.6897	1.013	6	110.3484	4.111	10	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C-4:F-1:F-1:F-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CF3)(NH3)(H)	C(CCHN)(F)3	N(CCCH)(H)3	C(CCHH)(CF3)(NH3)(H)	C(CCHN)(F)3	N(CCCH)(H)3	107.6750	0.000	1	107.6750	0.000	1	107.6750	0.000	1	108.5858	7.567	97	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(NH3)(H)	C(CCHN)(H)3	N(CCCH)(H)3	C(CCCH)(CH3)(NH3)(H)	C(CCHN)(H)3	N(CCCH)(H)3	108.4725	0.453	2	108.4725	0.205	2	108.5954	8.003	90	108.5858	7.567	97	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(NH3)(H)	C(CCHN)(H)3	N(CCCH)(H)3	C(CCHH)(CH3)(NH3)(H)	C(CCHN)(H)3	N(CCCH)(H)3	109.0189	1.414	10	109.0189	2.000	10	108.5954	8.003	90	108.5858	7.567	97	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CH3)(NH3)(H)	C(CCHN)(H)3	N(CCCH)(H)3	C(CC[6a]CH)(CH3)(NH3)(H)	C(CCHN)(H)3	N(CCCH)(H)3	107.3370	0.000	1	107.3370	0.000	1	108.5954	8.003	90	108.5858	7.567	97	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CH3)(NH3)(H)	C(CCHN)(H)3	N(CCCH)(H)3	C(CC[6a]HH)(CH3)(NH3)(H)	C(CCHN)(H)3	N(CCCH)(H)3	108.6345	0.495	13	108.6345	0.245	13	108.5954	8.003	90	108.5858	7.567	97	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CH3)(NH3)(H)	C(CCHN)(H)3	N(CCCH)(H)3	C(CC[6a]HO)(CH3)(NH3)(H)	C(CCHN)(H)3	N(CCCH)(H)3	109.2890	0.000	1	109.2890	0.000	1	108.5954	8.003	90	108.5858	7.567	97	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(NH3)(H)	C(CCHN)(H)3	N(CCCH)(H)3	C(CH3)2(NH3)(H)	C(CCHN)(H)3	N(CCCH)(H)3	108.1366	4.577	32	108.1366	20.947	32	108.5954	8.003	90	108.5858	7.567	97	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(NH3)(H)	C(CCHN)(H)3	N(CCCH)(H)3	C(CHHN)(CH3)(NH3)(H)	C(CCHN)(H)3	N(CCCH)(H)3	108.9268	0.976	29	108.9268	0.953	29	108.5954	8.003	90	108.5858	7.567	97	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)(NH3)(H)	C(CCHN)(H)3	N(CCCH)(H)3	C(CHHO)(CH3)(NH3)(H)	C(CCHN)(H)3	N(CCCH)(H)3	109.1655	0.746	2	109.1655	0.557	2	108.5954	8.003	90	108.5858	7.567	97	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:N-4:P-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)(NH3)(PO3)(H)	C(CHNP)(H)3	N(CCHP)(H)3	C(CH3)(NH3)(PO3)(H)	C(CHNP)(H)3	N(CCHP)(H)3	111.4160	0.000	1	111.4160	0.000	1	111.4160	0.000	1	108.5858	7.567	97	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)(NH3)(H)	C(CC[6]HN)(H)3	N(CC[6]CH)(H)3	C(C[6]C[6]2H)(CH3)(NH3)(H)	C(CC[6]HN)(H)3	N(CC[6]CH)(H)3	107.6928	0.706	4	107.6928	0.498	4	108.0292	0.939	5	108.5858	7.567	97	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]O[6]H)(CH3)(NH3)(H)	C(CC[6]HN)(H)3	N(CC[6]CH)(H)3	C(C[6]C[6]O[6]H)(CH3)(NH3)(H)	C(CC[6]HN)(H)3	N(CC[6]CH)(H)3	109.3750	0.000	1	109.3750	0.000	1	108.0292	0.939	5	108.5858	7.567	97	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:1:1:1:	4:3:1:1:	C[5]-4:N-4:C-4:H-1:	C-4:F-1:F-1:F-1:	C-4:S-3:H-1:H-1:	C(C[5]C[5,6a]C[5]F)(NHHS)(CF3)(H)	C(CC[5]HN)(F)3	N(CC[5]CH)(SCO)(H)2	C(C[5]C[5,6a]C[5]F)(NHHS)(CF3)(H)	C(CC[5]HN)(F)3	N(CC[5]CH)(SCO)(H)2	111.4630	0.156	2	111.4630	0.024	2	111.4630	0.024	2	110.1408	3.184	5	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:1:1:1:	4:3:1:1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:H-1:	C(NCHH)(CH3)2(H)	C(CCHN)(H)3	N(CCCH)(CCC)(H)2	C(NCHH)(CH3)2(H)	C(CCHN)(H)3	N(CCCH)(CCC)(H)2	109.2593	1.855	3	109.2593	3.441	3	109.2593	3.441	3	110.1408	3.184	5	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:1:1:1:	4:4:1:1:	C-4:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(NCHH)(CH3)(H)	C(CCHN)(H)3	N(CCCH)(CCHH)(H)2	C(CCHH)(NCHH)(CH3)(H)	C(CCHN)(H)3	N(CCCH)(CCHH)(H)2	109.9680	0.636	15	109.9680	0.405	15	109.5391	2.361	79	109.3855	2.741	444	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:1:1:1:	4:4:1:1:	C-4:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(NCHH)(CH3)(H)	C(CCHN)(H)3	N(CCCH)2(H)2	C(CCHH)(NCHH)(CH3)(H)	C(CCHN)(H)3	N(CCCH)2(H)2	110.1330	0.304	2	110.1330	0.092	2	109.5391	2.361	79	109.3855	2.741	444	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:1:1:1:	4:4:1:1:	C-4:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HO)(NCHH)(CH3)(H)	C(CCHN)(H)3	N(CCCH)(CH3)(H)2	C(CC[6]HO)(NCHH)(CH3)(H)	C(CCHN)(H)3	N(CCCH)(CH3)(H)2	108.0610	0.697	2	108.0610	0.486	2	109.5391	2.361	79	109.3855	2.741	444	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:1:1:1:	4:4:1:1:	C-4:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(NCHH)(CH3)(H)	C(CCHN)(H)3	N(CCCH)(CCHH)(H)2	C(CC[6a]HH)(NCHH)(CH3)(H)	C(CCHN)(H)3	N(CCCH)(CCHH)(H)2	110.2756	0.957	5	110.2756	0.916	5	109.5391	2.361	79	109.3855	2.741	444	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:1:1:1:	4:4:1:1:	C-4:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(NCHH)(CH3)(H)	C(CCHN)(H)3	N(CCCH)(CH3)(H)2	C(CC[6a]HH)(NCHH)(CH3)(H)	C(CCHN)(H)3	N(CCCH)(CH3)(H)2	109.9357	0.267	3	109.9357	0.072	3	109.5391	2.361	79	109.3855	2.741	444	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:1:1:1:	4:4:1:1:	C-4:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HO)(NCHH)(CH3)(H)	C(CCHN)(H)3	N(CCCH)(CH3)(H)2	C(CC[6a]HO)(NCHH)(CH3)(H)	C(CCHN)(H)3	N(CCCH)(CH3)(H)2	109.2530	1.872	38	109.2530	3.506	38	109.5391	2.361	79	109.3855	2.741	444	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:1:1:1:	4:4:1:1:	C-4:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HO)(NCHH)(CH3)(H)	C(CCHN)(H)3	N(CCCH)2(H)2	C(CC[6a]HO)(NCHH)(CH3)(H)	C(CCHN)(H)3	N(CCCH)2(H)2	107.4700	0.000	1	107.4700	0.000	1	109.5391	2.361	79	109.3855	2.741	444	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:1:1:1:	4:4:1:1:	C-4:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CHHN)(NCHH)(CH3)(H)	C(CCHN)(H)3	N(CCCH)(CCHH)(H)2	C(CHHN)(NCHH)(CH3)(H)	C(CCHN)(H)3	N(CCCH)(CCHH)(H)2	110.2253	0.955	6	110.2253	0.913	6	109.5391	2.361	79	109.3855	2.741	444	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:1:1:1:	4:4:1:1:	C-4:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CHHO)(NCHH)(CH3)(H)	C(CCHN)(H)3	N(CCCH)(CCHH)(H)2	C(CHHO)(NCHH)(CH3)(H)	C(CCHN)(H)3	N(CCCH)(CCHH)(H)2	109.8688	1.462	6	109.8688	2.137	6	109.5391	2.361	79	109.3855	2.741	444	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:1:1:1:	4:4:1:1:	C-4:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CHHO)(NCHH)(CH3)(H)	C(CCHN)(H)3	N(CCCH)2(H)2	C(CHHO)(NCHH)(CH3)(H)	C(CCHN)(H)3	N(CCCH)2(H)2	106.8420	0.000	1	106.8420	0.000	1	109.5391	2.361	79	109.3855	2.741	444	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:1:1:1:	4:4:1:1:	C[5]-4:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[5]C[5]2Fe)(NCHH)(CH3)(H)	C(CC[5]HN)(H)3	N(CC[5]CH)2(H)2	C(C[5]C[5]2Fe)(NCHH)(CH3)(H)	C(CC[5]HN)(H)3	N(CC[5]CH)2(H)2	108.0185	1.791	2	108.0185	3.208	2	108.0185	3.208	2	109.3855	2.741	444	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:1:1:1:	4:4:1:1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	B-4:C-4:H-1:H-1:	C(NBHH)(CH3)2(H)	C(CCHN)(H)3	N(BHHN)(CCCH)(H)2	C(NBHH)(CH3)2(H)	C(CCHN)(H)3	N(BHHN)(CCCH)(H)2	109.7345	0.981	2	109.7345	0.962	2	109.7345	0.962	2	109.3855	2.741	444	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:1:1:1:	4:4:1:1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C(NCHH)(CH3)2(H)	C(CCHN)(H)3	N(CCCH)(CCHH)(H)2	C(NCHH)(CH3)2(H)	C(CCHN)(H)3	N(CCCH)(CCHH)(H)2	109.6482	1.460	53	109.6482	2.131	53	109.3654	2.835	356	109.3855	2.741	444	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:1:1:1:	4:4:1:1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C(NCHH)(CH3)2(H)	C(CCHN)(H)3	N(CCCH)2(H)2	C(NCHH)(CH3)2(H)	C(CCHN)(H)3	N(CCCH)2(H)2	109.3146	1.730	277	109.3146	2.994	277	109.3654	2.835	356	109.3855	2.741	444	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:1:1:1:	4:4:1:1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C(NCHH)(CH3)2(H)	C(CCHN)(H)3	N(CC[5a]HH)(CCCH)(H)2	C(NCHH)(CH3)2(H)	C(CCHN)(H)3	N(CC[5a]HH)(CCCH)(H)2	109.7205	2.003	2	109.7205	4.013	2	109.3654	2.835	356	109.3855	2.741	444	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:1:1:1:	4:4:1:1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C(NCHH)(CH3)2(H)	C(CCHN)(H)3	N(CC[6a]HH)(CCCH)(H)2	C(NCHH)(CH3)2(H)	C(CCHN)(H)3	N(CC[6a]HH)(CCCH)(H)2	109.2986	1.611	24	109.2986	2.594	24	109.3654	2.835	356	109.3855	2.741	444	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:1:1:1:	4:4:1:1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C(NC[6]HH)(CCHH)(CH3)(H)	C(CCHN)(H)3	N(C[6]C[6]2H)(CCCH)(H)2	C(NC[6]HH)(CCHH)(CH3)(H)	C(CCHN)(H)3	N(C[6]C[6]2H)(CCCH)(H)2	107.1050	0.000	1	107.1050	0.000	1	108.7900	2.966	5	109.3855	2.741	444	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:1:1:1:	4:4:1:1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C(NC[6]HH)(CH3)2(H)	C(CCHN)(H)3	N(C[6]C[6]2H)(CCCH)(H)2	C(NC[6]HH)(CH3)2(H)	C(CCHN)(H)3	N(C[6]C[6]2H)(CCCH)(H)2	109.2113	1.665	4	109.2113	2.771	4	108.7900	2.966	5	109.3855	2.741	444	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:1:1:1:	4:4:4:1:	C-4:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCHH)(NCCH)(CH3)(H)	C(CCHN)(H)3	N(CCCH)(CCHH)2(H)	C(CCHH)(NCCH)(CH3)(H)	C(CCHN)(H)3	N(CCCH)(CCHH)2(H)	112.0200	3.123	2	112.0200	9.751	2	111.1283	3.298	56	111.0963	3.384	181	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:1:1:1:	4:4:4:1:	C-4:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CC[6a]HO)(NCCH)(CH3)(H)	C(CCHN)(H)3	N(CCCH)(CH3)2(H)	C(CC[6a]HO)(NCCH)(CH3)(H)	C(CCHN)(H)3	N(CCCH)(CH3)2(H)	110.8282	1.829	40	110.8282	3.344	40	111.1283	3.298	56	111.0963	3.384	181	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:1:1:1:	4:4:4:1:	C-4:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHN)(NCCH)(CH3)(H)	C(CCHN)(H)3	N(CCCH)(CCHH)(CH3)(H)	C(CHHN)(NCCH)(CH3)(H)	C(CCHN)(H)3	N(CCCH)(CCHH)(CH3)(H)	111.9030	0.000	1	111.9030	0.000	1	111.1283	3.298	56	111.0963	3.384	181	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:1:1:1:	4:4:4:1:	C-4:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CN[5]HH)(NCCH)(CH3)(H)	C(CCHN)(H)3	N(CC[6a]HH)(CCCH)(CCHH)(H)	C(CN[5]HH)(NCCH)(CH3)(H)	C(CCHN)(H)3	N(CC[6a]HH)(CCCH)(CCHH)(H)	107.1940	0.000	1	107.1940	0.000	1	111.1283	3.298	56	111.0963	3.384	181	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:1:1:1:	4:4:4:1:	C-4:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CN[6]HH)(NCCH)(CH3)(H)	C(CCHN)(H)3	N(CCCH)(CCHH)2(H)	C(CN[6]HH)(NCCH)(CH3)(H)	C(CCHN)(H)3	N(CCCH)(CCHH)2(H)	112.2470	0.000	1	112.2470	0.000	1	111.1283	3.298	56	111.0963	3.384	181	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:1:1:1:	4:4:4:1:	C-4:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CN[6]HH)(NCCH)(CH3)(H)	C(CCHN)(H)3	N(CCCH)(CH3)2(H)	C(CN[6]HH)(NCCH)(CH3)(H)	C(CCHN)(H)3	N(CCCH)(CH3)2(H)	112.2430	0.709	11	112.2430	0.503	11	111.1283	3.298	56	111.0963	3.384	181	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:1:1:1:	4:4:4:1:	C[5]-4:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C(C[5]C[5]2Fe)(NCCH)(CH3)(H)	C(CC[5]HN)(H)3	N(CC[5]CH)(CH3)2(H)	C(C[5]C[5]2Fe)(NCCH)(CH3)(H)	C(CC[5]HN)(H)3	N(CC[5]CH)(CH3)2(H)	110.5425	1.855	2	110.5425	3.440	2	110.5425	3.440	2	111.0963	3.384	181	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:1:1:1:	4:4:4:1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	B-4:C-4:C-4:H-1:	C(NBCH)(CH3)2(H)	C(CCHN)(H)3	N(BCHH)(CCCH)2(H)	C(NBCH)(CH3)2(H)	C(CCHN)(H)3	N(BCHH)(CCCH)2(H)	111.7450	2.044	4	111.7450	4.179	4	111.5618	3.134	20	111.0963	3.384	181	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:1:1:1:	4:4:4:1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	B-4:C-4:C-4:H-1:	C(NBCH)(CH3)2(H)	C(CCHN)(H)3	N(BHHN)(CCCH)2(H)	C(NBCH)(CH3)2(H)	C(CCHN)(H)3	N(BHHN)(CCCH)2(H)	111.4993	1.947	4	111.4993	3.792	4	111.5618	3.134	20	111.0963	3.384	181	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:1:1:1:	4:4:4:1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	B-4:C-4:C-4:H-1:	C(NBCH)(CH3)2(H)	C(CCHN)(H)3	N(BHHS)(CCCH)2(H)	C(NBCH)(CH3)2(H)	C(CCHN)(H)3	N(BHHS)(CCCH)2(H)	111.5215	1.796	12	111.5215	3.224	12	111.5618	3.134	20	111.0963	3.384	181	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:1:1:1:	4:4:4:1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C(NCCH)(CH3)2(H)	C(CCHN)(H)3	N(CCCH)(CHHP)2(H)	C(NCCH)(CH3)2(H)	C(CCHN)(H)3	N(CCCH)(CHHP)2(H)	110.9225	1.467	2	110.9225	2.153	2	111.0058	3.640	99	111.0963	3.384	181	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:1:1:1:	4:4:4:1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C(NCCH)(CH3)2(H)	C(CCHN)(H)3	N(CCCH)2(CCHH)(H)	C(NCCH)(CH3)2(H)	C(CCHN)(H)3	N(CCCH)2(CCHH)(H)	110.9988	1.943	83	110.9988	3.774	83	111.0058	3.640	99	111.0963	3.384	181	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:1:1:1:	4:4:4:1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C(NCCH)(CH3)2(H)	C(CCHN)(H)3	N(CCCH)2(CHHP)(H)	C(NCCH)(CH3)2(H)	C(CCHN)(H)3	N(CCCH)2(CHHP)(H)	110.4645	1.254	4	110.4645	1.572	4	111.0058	3.640	99	111.0963	3.384	181	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:1:1:1:	4:4:4:1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C(NCCH)(CH3)2(H)	C(CCHN)(H)3	N(CC[5]HH)(CCCH)2(H)	C(NCCH)(CH3)2(H)	C(CCHN)(H)3	N(CC[5]HH)(CCCH)2(H)	110.9870	2.537	4	110.9870	6.436	4	111.0058	3.640	99	111.0963	3.384	181	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:1:1:1:	4:4:4:1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C(NCCH)(CH3)2(H)	C(CCHN)(H)3	N(CC[6a]HH)(CCCH)2(H)	C(NCCH)(CH3)2(H)	C(CCHN)(H)3	N(CC[6a]HH)(CCCH)2(H)	111.9145	1.372	2	111.9145	1.884	2	111.0058	3.640	99	111.0963	3.384	181	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:1:1:1:	4:4:4:1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C(NCCH)(CH3)2(H)	C(CCHN)(H)3	N(CGaHH)(CCCH)2(H)	C(NCCH)(CH3)2(H)	C(CCHN)(H)3	N(CGaHH)(CCCH)2(H)	111.2972	2.308	4	111.2972	5.328	4	111.0058	3.640	99	111.0963	3.384	181	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:1:1:1:	4:4:4:1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[4]-4:C-4:C-4:H-1:	C(NC[4]CH)(CH3)2(H)	C(CCHN)(H)3	N(C[4]C[4,6]C[4]H)(CCCH)2(H)	C(NC[4]CH)(CH3)2(H)	C(CCHN)(H)3	N(C[4]C[4,6]C[4]H)(CCCH)2(H)	110.8405	0.805	4	110.8405	0.647	4	110.8405	0.647	4	111.0963	3.384	181	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:1:1:1:	4:4:4:4:	C-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CC3)(CH3)(NC3)(H)	C(CCHN)(H)3	N(CCCH)(CH3)3	C(CC3)(CH3)(NC3)(H)	C(CCHN)(H)3	N(CCCH)(CH3)3	105.8610	3.367	2	105.8610	11.338	2	112.7869	21.264	10	112.7869	21.264	10	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:1:1:1:	4:4:4:4:	C-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CC[6a]HO)(CH3)(NC3)(H)	C(CCHN)(H)3	N(CC[6]HH)(CCCH)(CH3)2	C(CC[6a]HO)(CH3)(NC3)(H)	C(CCHN)(H)3	N(CC[6]HH)(CCCH)(CH3)2	111.1760	0.000	1	111.1760	0.000	1	112.7869	21.264	10	112.7869	21.264	10	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:1:1:1:	4:4:4:4:	C-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CC[6a]HO)(CH3)(NC3)(H)	C(CCHN)(H)3	N(CC[6a]HH)2(CCCH)(CH3)	C(CC[6a]HO)(CH3)(NC3)(H)	C(CCHN)(H)3	N(CC[6a]HH)2(CCCH)(CH3)	111.9620	0.000	1	111.9620	0.000	1	112.7869	21.264	10	112.7869	21.264	10	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:1:1:1:	4:4:4:4:	C-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CH3)2(NC3)(H)	C(CCHN)(H)3	N(CCCH)(CCHH)(CH3)2	C(CH3)2(NC3)(H)	C(CCHN)(H)3	N(CCCH)(CCHH)(CH3)2	115.5015	2.706	6	115.5015	7.322	6	112.7869	21.264	10	112.7869	21.264	10	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CHHO)(NH3)(H)	C(CCHN)(OH)(H)2	N(CCCH)(H)3	C(CCCH)(CHHO)(NH3)(H)	C(CCHN)(OH)(H)2	N(CCCH)(H)3	107.2090	0.000	1	107.2090	0.000	1	108.7887	0.652	11	108.7046	1.433	15	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CHHO)(NH3)(H)	C(CCHN)(OH)(H)2	N(CCCH)(H)3	C(CCHH)(CHHO)(NH3)(H)	C(CCHN)(OH)(H)2	N(CCCH)(H)3	108.2245	0.769	2	108.2245	0.591	2	108.7887	0.652	11	108.7046	1.433	15	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CHHO)(NH3)(H)	C(CCHN)(OC)(H)2	N(CCCH)(H)3	C(CC[5]HH)(CHHO)(NH3)(H)	C(CCHN)(OC)(H)2	N(CCCH)(H)3	109.5835	0.249	4	109.5835	0.062	4	108.7887	0.652	11	108.7046	1.433	15	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CHHO)(NH3)(H)	C(CCHN)(OP)(H)2	N(CCCH)(H)3	C(CC[5]HH)(CHHO)(NH3)(H)	C(CCHN)(OP)(H)2	N(CCCH)(H)3	108.6060	0.041	2	108.6060	0.002	2	108.7887	0.652	11	108.7046	1.433	15	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]HH)(CHHO)(NH3)(H)	C(CCHN)(OP)(H)2	N(CCCH)(H)3	C(CC[5a]HH)(CHHO)(NH3)(H)	C(CCHN)(OP)(H)2	N(CCCH)(H)3	108.6510	0.000	1	108.6510	0.000	1	108.7887	0.652	11	108.7046	1.433	15	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)(NH3)(H)	C(CCHN)(OH)(H)2	N(CCCH)(H)3	C(CHHO)(CH3)(NH3)(H)	C(CCHN)(OH)(H)2	N(CCCH)(H)3	108.8210	0.000	1	108.8210	0.000	1	108.7887	0.652	11	108.7046	1.433	15	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C-4:O-2:H-1:O-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CHOO)(NH3)(H)	C(CCHN)(OH)(H)(O)	N(CCCH)(H)3	C(CCHH)(CHOO)(NH3)(H)	C(CCHN)(OH)(H)(O)	N(CCCH)(H)3	108.4733	2.102	4	108.4733	4.417	4	108.4733	4.417	4	108.7046	1.433	15	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:2:1:1:	4:4:1:1:	C-4:C-4:N-4:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHO)(NCHH)(H)	C(CCHN)(OH)(H)2	N(CCCH)(CCHH)(H)2	C(CCHH)(CHHO)(NCHH)(H)	C(CCHN)(OH)(H)2	N(CCCH)(CCHH)(H)2	108.7107	1.938	6	108.7107	3.757	6	109.1905	4.470	8	109.3434	5.325	16	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:2:1:1:	4:4:1:1:	C-4:C-4:N-4:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHO)(NCHH)(H)	C(CCHN)(OS)(H)2	N(CCCH)(CCHH)(H)2	C(CCHH)(CHHO)(NCHH)(H)	C(CCHN)(OS)(H)2	N(CCCH)(CCHH)(H)2	108.7620	0.000	1	108.7620	0.000	1	109.1905	4.470	8	109.3434	5.325	16	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:2:1:1:	4:4:1:1:	C-4:C-4:N-4:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CHHO)(NCHH)(H)	C(CCHN)(OH)(H)2	N(CC[5]HH)(CCCH)(H)2	C(CC[6a]HH)(CHHO)(NCHH)(H)	C(CCHN)(OH)(H)2	N(CC[5]HH)(CCCH)(H)2	112.4980	0.000	1	112.4980	0.000	1	109.1905	4.470	8	109.3434	5.325	16	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:2:1:1:	4:4:1:1:	C-4:N-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CHHO)(NCHH)(CH3)(H)	C(CCHN)(OH)(H)2	N(CCCH)(CCHH)(H)2	C(CHHO)(NCHH)(CH3)(H)	C(CCHN)(OH)(H)2	N(CCCH)(CCHH)(H)2	109.7970	2.444	6	109.7970	5.974	6	109.7970	5.974	6	109.3434	5.325	16	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:2:1:1:	4:4:1:1:	N-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C(NC[6]HH)(CHHO)2(H)	C(CCHN)(OH)(H)2	N(C[6]C[6]2H)(CCCH)(H)2	C(NC[6]HH)(CHHO)2(H)	C(CCHN)(OH)(H)2	N(C[6]C[6]2H)(CCCH)(H)2	108.5940	4.022	2	108.5940	16.177	2	108.5940	16.177	2	109.3434	5.325	16	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:2:1:1:	4:4:4:1:	C-4:C-4:N-4:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CC[6a]HO)(CHHO)(NCCH)(H)	C(CCHN)(OH)(H)2	N(CCCH)(CH3)2(H)	C(CC[6a]HO)(CHHO)(NCCH)(H)	C(CCHN)(OH)(H)2	N(CCCH)(CH3)2(H)	111.6623	2.921	6	111.6623	8.532	6	111.9488	14.644	12	111.9488	14.644	12	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:2:1:1:	4:4:4:1:	C-4:C-4:N-4:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHO)2(NCCH)(H)	C(CCHN)(OH)(H)2	N(CCCH)3(H)	C(CHHO)2(NCCH)(H)	C(CCHN)(OH)(H)2	N(CCCH)3(H)	112.2352	4.846	6	112.2352	23.488	6	111.9488	14.644	12	111.9488	14.644	12	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:2:1:1:	4:4:4:4:	C-4:C-4:N-4:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CC[6a]HH)(CHHO)(NC3)(H)	C(CCHN)(OH)(H)2	N(CCCH)(CH3)3	C(CC[6a]HH)(CHHO)(NC3)(H)	C(CCHN)(OH)(H)2	N(CCCH)(CH3)3	113.3480	0.382	2	113.3480	0.146	2	113.3480	0.146	2	113.3480	0.146	2	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)2(NH3)(H)	C(CCHN)(CCH)(H)2	N(CCCH)(H)3	C(CCHH)2(NH3)(H)	C(CCHN)(CCH)(H)2	N(CCCH)(H)3	108.0340	0.000	1	108.0340	0.000	1	108.5470	0.526	2	108.6903	0.280	4	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CCHH)(NH3)(H)	C(CCHN)(CNO)(H)2	N(CCCH)(H)3	C(CC[6a]HH)(CCHH)(NH3)(H)	C(CCHN)(CNO)(H)2	N(CCCH)(H)3	109.0600	0.000	1	109.0600	0.000	1	108.5470	0.526	2	108.6903	0.280	4	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CHHN)(NH3)(H)	C(CCHN)(NHH)(H)2	N(CCCH)(H)3	C(CCHN)(CHHN)(NH3)(H)	C(CCHN)(NHH)(H)2	N(CCCH)(H)3	108.4930	0.000	1	108.4930	0.000	1	108.8335	0.232	2	108.6903	0.280	4	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(NH3)(H)	C(CCHN)(NHH)(H)2	N(CCCH)(H)3	C(CHHN)(CH3)(NH3)(H)	C(CCHN)(NHH)(H)2	N(CCCH)(H)3	109.1740	0.000	1	109.1740	0.000	1	108.8335	0.232	2	108.6903	0.280	4	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:N-4:H-1:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCCH)(CHHN)(NCHH)(H)	C(CCHN)(NCH)(H)2	N(CCCH)(CNO)(H)2	C(CCCH)(CHHN)(NCHH)(H)	C(CCHN)(NCH)(H)2	N(CCCH)(CNO)(H)2	105.9780	0.000	1	105.9780	0.000	1	105.9780	0.000	1	105.9780	0.000	1	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:N-4:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(NCHH)(H)	C(CCHN)(CHH)(H)2	N(CCCH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(NCHH)(H)	C(CCHN)(CHH)(H)2	N(CCCH)(CCHH)(H)2	112.7390	0.000	1	112.7390	0.000	1	112.7390	0.000	1	108.0519	3.751	10	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:3:1:1:	4:4:1:1:	C-4:N-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CHHN)(NCHH)(CH3)(H)	C(CCHN)(NCH)(H)2	N(CCCH)(CCHH)(H)2	C(CHHN)(NCHH)(CH3)(H)	C(CCHN)(NCH)(H)2	N(CCCH)(CCHH)(H)2	107.1282	0.718	6	107.1282	0.516	6	107.1282	0.516	6	108.0519	3.751	10	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[5]-4:C-4:N-4:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[5]C[5]O[5]H)(CCHH)(NCHH)(H)	C(CC[5]HN)(CNO)(H)2	N(CC[6a]HH)(CC[5]CH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(NCHH)(H)	C(CC[5]HN)(CNO)(H)2	N(CC[6a]HH)(CC[5]CH)(H)2	109.8880	0.000	1	109.8880	0.000	1	108.3370	1.924	3	108.0519	3.751	10	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[5]-4:C-4:N-4:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[5]C[5]O[5]H)(CCHH)(NCHH)(H)	C(CC[5]HN)(COO)(H)2	N(CC[6a]HH)(CC[5]CH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(NCHH)(H)	C(CC[5]HN)(COO)(H)2	N(CC[6a]HH)(CC[5]CH)(H)2	107.5615	0.490	2	107.5615	0.240	2	108.3370	1.924	3	108.0519	3.751	10	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:3:1:1:	4:4:4:1:	C-4:C-4:N-4:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCHH)(CCHN)(NCCH)(H)	C(CCHN)(COO)(H)2	N(CC[6a]HH)(CCCH)2(H)	C(CCHH)(CCHN)(NCCH)(H)	C(CCHN)(COO)(H)2	N(CC[6a]HH)(CCCH)2(H)	112.9700	0.000	1	112.9700	0.000	1	111.7700	2.880	2	111.7700	2.880	2	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:3:1:1:	4:4:4:1:	C-4:C-4:N-4:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCHH)2(NCCH)(H)	C(CCHN)(CNO)(H)2	N(CC[6a]CH)(CCCH)(CCHH)(H)	C(CCHH)2(NCCH)(H)	C(CCHN)(CNO)(H)2	N(CC[6a]CH)(CCCH)(CCHH)(H)	110.5700	0.000	1	110.5700	0.000	1	111.7700	2.880	2	111.7700	2.880	2	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:4:1:1:	3:4:4:1:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C(NC[6a]CH)(CCHH)(CH3)(H)	C(CCHH)(CCHN)(H)2	N(C[6a]C[6a]2)(CC[6a]HH)(CCCH)(H)	C(NC[6a]CH)(CCHH)(CH3)(H)	C(CCHH)(CCHN)(H)2	N(C[6a]C[6a]2)(CC[6a]HH)(CCCH)(H)	114.3290	0.000	2	114.3290	0.000	2	114.3290	0.000	2	114.3290	0.000	2	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CCHH)(NH3)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(H)3	C(CCCH)(CCHH)(NH3)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(H)3	109.1760	0.062	2	109.1760	0.004	2	109.0094	8.687	120	109.1760	11.179	153	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CF3)(NH3)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(H)3	C(CCHH)(CF3)(NH3)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(H)3	112.4340	0.000	1	112.4340	0.000	1	109.0094	8.687	120	109.1760	11.179	153	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CFHP)(NH3)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(H)3	C(CCHH)(CFHP)(NH3)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(H)3	108.8720	0.000	1	108.8720	0.000	1	109.0094	8.687	120	109.1760	11.179	153	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(NH3)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(H)3	C(CCHH)(CH3)(NH3)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(H)3	107.8170	0.359	2	107.8170	0.129	2	109.0094	8.687	120	109.1760	11.179	153	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(NH3)(H)	C(CCHN)(CH3)(H)2	N(CCCH)(H)3	C(CCHH)(CH3)(NH3)(H)	C(CCHN)(CH3)(H)2	N(CCCH)(H)3	110.2725	2.856	4	110.2725	8.156	4	109.0094	8.687	120	109.1760	11.179	153	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(NH3)(H)	C(CC[6a]HH)(CCHN)(H)2	N(CCCH)(H)3	C(CCHH)(CH3)(NH3)(H)	C(CC[6a]HH)(CCHN)(H)2	N(CCCH)(H)3	108.3690	0.797	4	108.3690	0.635	4	109.0094	8.687	120	109.1760	11.179	153	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CHHO)(NH3)(H)	C(CCHN)(CH3)(H)2	N(CCCH)(H)3	C(CCHH)(CHHO)(NH3)(H)	C(CCHN)(CH3)(H)2	N(CCCH)(H)3	108.8425	1.604	2	108.8425	2.574	2	109.0094	8.687	120	109.1760	11.179	153	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CHOO)(NH3)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(H)3	C(CCHH)(CHOO)(NH3)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(H)3	111.5092	1.378	4	111.5092	1.898	4	109.0094	8.687	120	109.1760	11.179	153	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)2(NH3)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(H)3	C(CCHH)2(NH3)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(H)3	108.8550	3.172	95	108.8550	10.063	95	109.0094	8.687	120	109.1760	11.179	153	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)2(NH3)(H)	C(CCHN)(CH3)(H)2	N(CCCH)(H)3	C(CCHH)2(NH3)(H)	C(CCHN)(CH3)(H)2	N(CCCH)(H)3	107.7880	0.000	1	107.7880	0.000	1	109.0094	8.687	120	109.1760	11.179	153	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CCHH)(NH3)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(H)3	C(CC[6a]HH)(CCHH)(NH3)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(H)3	109.6010	0.211	3	109.6010	0.045	3	109.0094	8.687	120	109.1760	11.179	153	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CNiOO)(CCHH)(NH3)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(H)3	C(CNiOO)(CCHH)(NH3)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(H)3	109.7350	0.000	1	109.7350	0.000	1	109.0094	8.687	120	109.1760	11.179	153	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CHHN)(NH3)(H)	C(CCHN)(NH3)(H)2	N(CCCH)(H)3	C(CCHN)(CHHN)(NH3)(H)	C(CCHN)(NH3)(H)2	N(CCCH)(H)3	105.4590	0.000	1	105.4590	0.000	1	109.7874	22.917	29	109.1760	11.179	153	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(NH3)(H)	C(CCHN)(NCCH)(H)2	N(CCCH)(H)3	C(CHHN)(CH3)(NH3)(H)	C(CCHN)(NCCH)(H)2	N(CCCH)(H)3	111.8130	0.000	1	111.8130	0.000	1	109.7874	22.917	29	109.1760	11.179	153	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(NH3)(H)	C(CCHN)(NH3)(H)2	N(CCCH)(H)3	C(CHHN)(CH3)(NH3)(H)	C(CCHN)(NH3)(H)2	N(CCCH)(H)3	109.8727	4.878	27	109.8727	23.794	27	109.7874	22.917	29	109.1760	11.179	153	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C-4:P-4:F-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CFHP)(NH3)(H)	C(CCHN)(PO3)(F)(H)	N(CCCH)(H)3	C(CCHH)(CFHP)(NH3)(H)	C(CCHN)(PO3)(F)(H)	N(CCCH)(H)3	109.3720	0.000	1	109.3720	0.000	1	109.3720	0.000	1	109.1760	11.179	153	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)(CC3)(NH3)(H)	C(PC[6a]2O)(CCHN)(H)2	N(CCCH)(H)3	C(CHHP)(CC3)(NH3)(H)	C(PC[6a]2O)(CCHN)(H)2	N(CCCH)(H)3	107.6120	0.000	1	107.6120	0.000	1	107.6120	0.000	1	109.1760	11.179	153	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:N-4:P-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NH3)(PO3)(H)	C(CHNP)(CH3)(H)2	N(CCHP)(H)3	C(CCHH)(NH3)(PO3)(H)	C(CHNP)(CH3)(H)2	N(CCHP)(H)3	110.9940	0.706	2	110.9940	0.498	2	110.9940	0.498	2	109.1760	11.179	153	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHO)(NCHH)(H)	C(CCHN)(CH3)(H)2	N(CCCH)(CCHH)(H)2	C(CCHH)(CHHO)(NCHH)(H)	C(CCHN)(CH3)(H)2	N(CCCH)(CCHH)(H)2	108.8286	2.381	7	108.8286	5.669	7	109.0918	5.484	13	109.1891	3.189	36	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(NCHH)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(CHPP)(H)2	C(CCHH)2(NCHH)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(CHPP)(H)2	108.8452	2.788	4	108.8452	7.776	4	109.0918	5.484	13	109.1891	3.189	36	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]CH)(CCHH)(NCHH)(H)	C(CClHH)(CCHN)(H)2	N(CC[6a]HH)(CCCH)(H)2	C(CC[6a]CH)(CCHH)(NCHH)(H)	C(CClHH)(CCHN)(H)2	N(CC[6a]HH)(CCCH)(H)2	109.1400	0.000	1	109.1400	0.000	1	109.0918	5.484	13	109.1891	3.189	36	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(NCHH)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(NCHH)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(CCHH)(H)2	111.8730	0.000	1	111.8730	0.000	1	109.0918	5.484	13	109.1891	3.189	36	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:N-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(NCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	N(CCCH)(CCHH)(H)2	C(CCHH)(NCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	N(CCCH)(CCHH)(H)2	109.1199	0.880	14	109.1199	0.775	14	108.7792	1.296	17	109.1891	3.189	36	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:N-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(NCHH)(CH3)(H)	C(CCHN)(CH3)(H)2	N(CCCH)2(H)2	C(CCHH)(NCHH)(CH3)(H)	C(CCHN)(CH3)(H)2	N(CCCH)2(H)2	106.7645	0.612	2	106.7645	0.374	2	108.7792	1.296	17	109.1891	3.189	36	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:N-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(NCHH)(CH3)(H)	C(CCHN)(CHHN)(H)2	N(CCCH)(CCHH)(H)2	C(CCHH)(NCHH)(CH3)(H)	C(CCHN)(CHHN)(H)2	N(CCCH)(CCHH)(H)2	108.0390	0.000	1	108.0390	0.000	1	108.7792	1.296	17	109.1891	3.189	36	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:N-4:P-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(NCHH)(PO3)(H)	C(CHNP)(CH3)(H)2	N(CCHH)(CCHP)(H)2	C(CCHH)(NCHH)(PO3)(H)	C(CHNP)(CH3)(H)2	N(CCHH)(CCHP)(H)2	113.1790	0.000	1	113.1790	0.000	1	113.1790	0.000	1	109.1891	3.189	36	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:4:1:1:	4:4:1:1:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C(NC[6]HH)(CCHH)(CH3)(H)	C(CCHN)(CHHN)(H)2	N(C[6]C[6]2H)(CCCH)(H)2	C(NC[6]HH)(CCHH)(CH3)(H)	C(CCHN)(CHHN)(H)2	N(C[6]C[6]2H)(CCCH)(H)2	110.4150	0.000	1	110.4150	0.000	1	110.0380	0.645	5	109.1891	3.189	36	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:4:1:1:	4:4:1:1:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C(NC[6]HH)(CCHH)2(H)	C(CCHN)(CH3)(H)2	N(C[6]C[6]2H)(CCCH)(H)2	C(NC[6]HH)(CCHH)2(H)	C(CCHN)(CH3)(H)2	N(C[6]C[6]2H)(CCCH)(H)2	110.1380	1.407	2	110.1380	1.980	2	110.0380	0.645	5	109.1891	3.189	36	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:4:1:1:	4:4:1:1:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C(NC[6]HH)(CCHH)2(H)	C(CCHN)(CHHN)(H)2	N(C[6]C[6]2H)(CCCH)(H)2	C(NC[6]HH)(CCHH)2(H)	C(CCHN)(CHHN)(H)2	N(C[6]C[6]2H)(CCCH)(H)2	109.7495	0.521	2	109.7495	0.272	2	110.0380	0.645	5	109.1891	3.189	36	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCHH)2(NCCH)(H)	C(CCHH)(CCHN)(H)2	N(CC[6a]CH)(CCCH)(CCHH)(H)	C(CCHH)2(NCCH)(H)	C(CCHH)(CCHN)(H)2	N(CC[6a]CH)(CCCH)(CCHH)(H)	111.5840	0.000	1	111.5840	0.000	1	111.5840	0.000	1	110.6161	3.982	7	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:4:1:1:	4:4:4:1:	C-4:N-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCHH)(NCCH)(CH3)(H)	C(CCCN)(CCHN)(H)2	N(CCCH)(CCHH)2(H)	C(CCHH)(NCCH)(CH3)(H)	C(CCCN)(CCHN)(H)2	N(CCCH)(CCHH)2(H)	109.0030	3.596	2	109.0030	12.934	2	109.0030	12.934	2	110.6161	3.982	7	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:4:1:1:	4:4:4:1:	C-4:N-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHN)(NCCH)(CH3)(H)	C(CCHN)(NCCH)(H)2	N(CCCH)(CCHH)(CH3)(H)	C(CHHN)(NCCH)(CH3)(H)	C(CCHN)(NCCH)(H)2	N(CCCH)(CCHH)(CH3)(H)	112.7660	0.000	1	112.7660	0.000	1	112.7660	0.000	1	110.6161	3.982	7	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5]-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(C[5]C[5]2Fe)(CCHH)(NCCH)(H)	C(CC[5]CH)(CC[5]HN)(H)2	N(CC[5]CH)(CH3)2(H)	C(C[5]C[5]2Fe)(CCHH)(NCCH)(H)	C(CC[5]CH)(CC[5]HN)(H)2	N(CC[5]CH)(CH3)2(H)	110.6523	0.309	3	110.6523	0.096	3	110.6523	0.096	3	110.6161	3.982	7	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5]-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:B-4:C-4:C-4:	C(C[5]C[5]2Fe)(CCHH)(NBCC)(H)	C(CC[5]HN)(CCHH)(H)2	N(CC[5]CH)(BH3)(CH3)2	C(C[5]C[5]2Fe)(CCHH)(NBCC)(H)	C(CC[5]HN)(CCHH)(H)2	N(CC[5]CH)(BH3)(CH3)2	112.1150	0.000	1	112.1150	0.000	1	112.1150	0.000	1	112.1150	0.000	1	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[3x6]-4:C-4:N-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(C[3x6]C[6,6]3)(CCHO)(NH3)(H)	C(CC[3x6]HN)(CHHO)(OH)(H)	N(CC[3x6]CH)(H)3	C(C[3x6]C[6,6]3)(CCHO)(NH3)(H)	C(CC[3x6]HN)(CHHO)(OH)(H)	N(CC[3x6]CH)(H)3	107.8170	0.000	1	107.8170	0.000	1	107.8170	0.000	1	107.8170	0.000	1	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CCHH)(NH3)(H)	C(CCHH)(CCHN)(COO)(H)	N(CCCH)(H)3	C(CCCH)(CCHH)(NH3)(H)	C(CCHH)(CCHN)(COO)(H)	N(CCCH)(H)3	110.4100	0.188	2	110.4100	0.035	2	110.4100	0.035	2	110.4100	0.035	2	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:4:3:1:	4:4:4:1:	C-4:C-4:N-4:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C(CCHH)(CCHN)(NCCH)(H)	C(CC[6a]HH)(CCHN)(NCC)(H)	N(CC[6a]HH)(CCCH)2(H)	C(CCHH)(CCHN)(NCCH)(H)	C(CC[6a]HH)(CCHN)(NCC)(H)	N(CC[6a]HH)(CCCH)2(H)	107.8810	0.000	1	107.8810	0.000	1	107.8810	0.000	1	107.8810	0.000	1	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:4:4:1:	3:4:1:1:	N-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C(NC[6a]HH)(CCCH)(CH3)(H)	C(CCHH)(CCHN)(CH3)(H)	N(C[6a]C[6a]2)(CCCH)(H)2	C(NC[6a]HH)(CCCH)(CH3)(H)	C(CCHH)(CCHN)(CH3)(H)	N(C[6a]C[6a]2)(CCCH)(H)2	108.5560	0.000	1	108.5560	0.000	1	108.5560	0.000	1	108.5560	0.000	1	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(NH3)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(H)3	C(CCCH)(CH3)(NH3)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(H)3	110.2070	0.782	2	110.2070	0.612	2	110.8905	0.874	4	111.0809	1.410	9	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CHHO)(NH3)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(H)3	C(CCCH)(CHHO)(NH3)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(H)3	111.3090	0.000	1	111.3090	0.000	1	110.8905	0.874	4	111.0809	1.410	9	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CN[6]HH)(CCCH)(NH3)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(H)3	C(CN[6]HH)(CCCH)(NH3)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(H)3	111.8390	0.000	1	111.8390	0.000	1	110.8905	0.874	4	111.0809	1.410	9	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CHHN)(NH3)(H)	C(CCHN)2(NH3)(H)	N(CCCH)(H)3	C(CCHN)(CHHN)(NH3)(H)	C(CCHN)2(NH3)(H)	N(CCCH)(H)3	111.7445	2.534	2	111.7445	6.419	2	111.2918	2.776	4	111.0809	1.410	9	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)2(NH3)(H)	C(CCHN)(CHHN)(NH3)(H)	N(CCCH)(H)3	C(CCHN)2(NH3)(H)	C(CCHN)(CHHN)(NH3)(H)	N(CCCH)(H)3	110.8390	1.044	2	110.8390	1.089	2	111.2918	2.776	4	111.0809	1.410	9	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C-4:N-4:H-1:	C[6]-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2H)(CC[6]HN)(NH3)(H)	C(C[6]C[6]2H)(CC[6]HN)(NH3)(H)	N(CC[6]CH)(H)3	C(C[6]C[6]2H)(CC[6]HN)(NH3)(H)	C(C[6]C[6]2H)(CC[6]HN)(NH3)(H)	N(CC[6]CH)(H)3	110.9990	0.000	1	110.9990	0.000	1	110.9990	0.000	1	111.0809	1.410	9	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:4:4:1:	4:3:1:1:	C-4:C-4:N-4:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CCCH)(CHHN)(NCHH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CNO)(H)2	C(CCCH)(CHHN)(NCHH)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CNO)(H)2	111.5090	0.000	1	111.5090	0.000	1	111.5090	0.000	1	111.5090	0.000	1	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:4:4:4:	4:1:1:1:	C-4:C-4:N-4:H-1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CHHP)(CC3)(NH3)(H)	C(CCHN)(CH3)3	N(CCCH)(H)3	C(CHHP)(CC3)(NH3)(H)	C(CCHN)(CH3)3	N(CCCH)(H)3	112.0080	0.000	1	112.0080	0.000	1	112.0080	0.000	1	112.0080	0.000	1	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:1:	4:4:4:4:	4:4:4:4:	C-4:C-4:N-4:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:C-4:C-4:	C(CC3)(CH3)(NC3)(H)	C(CCHN)(CH3)3	N(CCCH)(CH3)3	C(CC3)(CH3)(NC3)(H)	C(CCHN)(CH3)3	N(CCCH)(CH3)3	122.3490	5.647	2	122.3490	31.888	2	122.3490	31.888	2	122.3490	31.888	2	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	3:4:1:1:	4:1:1:1:	C-4:C-4:N-4:C-3:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CH3)(NH3)(COO)	C(C[6a]C[6a]2)(CCCN)(H)2	N(CC3)(H)3	C(CC[6a]HH)(CH3)(NH3)(COO)	C(C[6a]C[6a]2)(CCCN)(H)2	N(CC3)(H)3	109.0830	0.000	1	109.0830	0.000	1	109.0830	0.000	1	109.0830	0.000	1	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:N-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(NH3)(COO)	C(CCCN)(H)3	N(CC3)(H)3	C(CCHH)(CH3)(NH3)(COO)	C(CCCN)(H)3	N(CC3)(H)3	108.0372	0.254	5	108.0372	0.065	5	108.0992	0.086	21	108.0992	0.086	21	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:N-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CH3)(NH3)(COO)	C(CCCN)(H)3	N(CC3)(H)3	C(CC[6a]HH)(CH3)(NH3)(COO)	C(CCCN)(H)3	N(CC3)(H)3	107.9420	0.000	1	107.9420	0.000	1	108.0992	0.086	21	108.0992	0.086	21	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:N-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(NH3)(COO)	C(CCCN)(H)3	N(CC3)(H)3	C(CH3)2(NH3)(COO)	C(CCCN)(H)3	N(CC3)(H)3	108.2400	0.216	12	108.2400	0.047	12	108.0992	0.086	21	108.0992	0.086	21	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:N-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CSiHH)(CH3)(NH3)(COO)	C(CCCN)(H)3	N(CC3)(H)3	C(CSiHH)(CH3)(NH3)(COO)	C(CCCN)(H)3	N(CC3)(H)3	107.6917	0.298	3	107.6917	0.089	3	108.0992	0.086	21	108.0992	0.086	21	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:1:1:	N-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C(NCHH)(CH3)2(COO)	C(CCCN)(H)3	N(CCHH)(CC3)(H)2	C(NCHH)(CH3)2(COO)	C(CCCN)(H)3	N(CCHH)(CC3)(H)2	107.9390	2.307	2	107.9390	5.320	2	107.9965	3.134	6	107.9965	3.134	6	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:1:1:1:	4:4:1:1:	N-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C(NCHH)(CH3)2(COO)	C(CCCN)(H)3	N(CC[6]HH)(CC3)(H)2	C(NCHH)(CH3)2(COO)	C(CCCN)(H)3	N(CC[6]HH)(CC3)(H)2	108.0252	1.857	4	108.0252	3.447	4	107.9965	3.134	6	107.9965	3.134	6	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:3:1:1:	4:1:1:1:	C-4:C-4:N-4:C-3:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(NH3)(COO)	C(CCCN)(CCH)(H)2	N(CC3)(H)3	C(CCHH)(CH3)(NH3)(COO)	C(CCCN)(CCH)(H)2	N(CC3)(H)3	109.2990	0.489	2	109.2990	0.239	2	109.3017	0.227	4	109.3017	0.227	4	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:3:1:1:	4:1:1:1:	C-4:C-4:N-4:C-3:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(NH3)(COO)	C(CCCN)(COO)(H)2	N(CC3)(H)3	C(CCHH)(CH3)(NH3)(COO)	C(CCCN)(COO)(H)2	N(CC3)(H)3	109.3045	0.665	2	109.3045	0.443	2	109.3017	0.227	4	109.3017	0.227	4	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:4:1:1:	4:1:1:1:	C-4:C-4:N-4:C-3:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(NH3)(COO)	C(CCCN)(CH3)(H)2	N(CC3)(H)3	C(CCHH)(CH3)(NH3)(COO)	C(CCCN)(CH3)(H)2	N(CC3)(H)3	108.6360	0.000	1	108.6360	0.000	1	108.6360	0.000	1	108.0932	0.157	4	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:3:	4:4:1:1:	4:1:1:1:	C-4:C-4:N-4:C-3:	C-4:Si-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CSiHH)(CH3)(NH3)(COO)	C(CCCN)(SiC3)(H)2	N(CC3)(H)3	C(CSiHH)(CH3)(NH3)(COO)	C(CCCN)(SiC3)(H)2	N(CC3)(H)3	107.9123	0.198	3	107.9123	0.039	3	107.9123	0.039	3	108.0932	0.157	4	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	3:4:1:1:	3:4:1:1:	C-4:N-4:C-4:C-4:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CC[6a]HH)(NCHH)(CH3)2	C(C[6a]C[6a]2)(CCCN)(H)2	N(CC[6a]C)(CC3)(H)2	C(CC[6a]HH)(NCHH)(CH3)2	C(C[6a]C[6a]2)(CCCN)(H)2	N(CC[6a]C)(CC3)(H)2	107.6300	0.000	1	107.6300	0.000	1	107.6300	0.000	1	107.6300	0.000	1	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:N-4:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CH3)2(NH3)	C(C[6a]C[6a]2)(CCCN)(H)2	N(CC3)(H)3	C(CC[6a]HH)(CH3)2(NH3)	C(C[6a]C[6a]2)(CCCN)(H)2	N(CC3)(H)3	107.4317	1.381	4	107.4317	1.907	4	107.4317	1.907	4	108.1422	2.447	6	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:N-4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)3(NH3)	C(OCrMo)(CCCN)(H)2	N(CC3)(H)3	C(CHHO)3(NH3)	C(OCrMo)(CCCN)(H)2	N(CC3)(H)3	109.5630	0.679	2	109.5630	0.461	2	109.5630	0.461	2	108.1422	2.447	6	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	3:4:1:1:	4:4:1:1:	C-4:N-4:C-4:C-4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(NCHH)(CH3)2	C(C[6a]C[6a]2)(CCCN)(H)2	N(CC3)2(H)2	C(CC[6a]HH)(NCHH)(CH3)2	C(C[6a]C[6a]2)(CCCN)(H)2	N(CC3)2(H)2	109.0480	0.000	1	109.0480	0.000	1	108.9280	0.183	3	108.9280	0.183	3	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	3:4:1:1:	4:4:1:1:	C-4:N-4:C-4:C-4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(NCHH)(CH3)2	C(C[6a]C[6a]2)(CCCN)(H)2	N(CCHH)(CC3)(H)2	C(CC[6a]HH)(NCHH)(CH3)2	C(C[6a]C[6a]2)(CCCN)(H)2	N(CCHH)(CC3)(H)2	108.8680	0.587	2	108.8680	0.344	2	108.9280	0.183	3	108.9280	0.183	3	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:1:1:1:	3:4:1:1:	C-4:N-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CC[6a]HH)(NCHH)(CH3)2	C(CCCN)(H)3	N(CC[6a]C)(CC3)(H)2	C(CC[6a]HH)(NCHH)(CH3)2	C(CCCN)(H)3	N(CC[6a]C)(CC3)(H)2	106.8875	1.869	2	106.8875	3.493	2	106.8875	3.493	2	106.9995	2.998	6	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:1:1:1:	3:4:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(NC[6a]HH)(CCHH)(CH3)2	C(CCCN)(H)3	N(C[6a]C[6a]2)(CC3)(H)2	C(NC[6a]HH)(CCHH)(CH3)2	C(CCCN)(H)3	N(C[6a]C[6a]2)(CC3)(H)2	107.0555	1.954	4	107.0555	3.820	4	107.0555	3.820	4	106.9995	2.998	6	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(NH3)	C(CCCN)(H)3	N(CC3)(H)3	C(CCHH)(CH3)2(NH3)	C(CCCN)(H)3	N(CC3)(H)3	106.5059	0.999	22	106.5059	0.998	22	107.3114	0.488	238	107.3895	0.510	280	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CH3)2(NH3)	C(CCCN)(H)3	N(CC3)(H)3	C(CC[6a]HH)(CH3)2(NH3)	C(CCCN)(H)3	N(CC3)(H)3	107.7611	1.391	8	107.7611	1.934	8	107.3114	0.488	238	107.3895	0.510	280	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(NH3)	C(CCCN)(H)3	N(CC3)(H)3	C(CH3)3(NH3)	C(CCCN)(H)3	N(CC3)(H)3	107.3732	0.543	186	107.3732	0.295	186	107.3114	0.488	238	107.3895	0.510	280	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)2(CH3)(NH3)	C(CCCN)(H)3	N(CC3)(H)3	C(CHHN)2(CH3)(NH3)	C(CCCN)(H)3	N(CC3)(H)3	106.9077	0.578	6	106.9077	0.334	6	107.3114	0.488	238	107.3895	0.510	280	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)2(NH3)	C(CCCN)(H)3	N(CC3)(H)3	C(CHHO)(CH3)2(NH3)	C(CCCN)(H)3	N(CC3)(H)3	107.6273	0.623	16	107.6273	0.388	16	107.3114	0.488	238	107.3895	0.510	280	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:N-4:P-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(NH3)(PO3)	C(CCNP)(H)3	N(CCCP)(H)3	C(CH3)2(NH3)(PO3)	C(CCNP)(H)3	N(CCCP)(H)3	107.9150	0.710	22	107.9150	0.505	22	107.9150	0.505	22	107.3895	0.510	280	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:N-4:P-4:P-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)(NH3)(PO3)2	C(CNPP)(H)3	N(CCPP)(H)3	C(CH3)(NH3)(PO3)2	C(CNPP)(H)3	N(CCPP)(H)3	107.7413	0.564	20	107.7413	0.319	20	107.7413	0.319	20	107.3895	0.510	280	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:1:1:1:	4:3:1:1:	C-4:N-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(NHHN)(CH3)2	C(CCCN)(H)3	N(CC3)(NCH)(H)2	C(CCHH)(NHHN)(CH3)2	C(CCCN)(H)3	N(CC3)(NCH)(H)2	108.2905	1.159	2	108.2905	1.343	2	108.2905	1.343	2	108.1912	5.360	8	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:1:1:1:	4:3:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:H-1:	C(NCHH)(CH3)3	C(CCCN)(H)3	N(CC3)(CCO)(H)2	C(NCHH)(CH3)3	C(CCCN)(H)3	N(CC3)(CCO)(H)2	109.1623	3.280	3	109.1623	10.759	3	109.1623	10.759	3	108.1912	5.360	8	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:1:1:1:	4:3:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:N-3:H-1:H-1:	C(NHHN)(CH3)3	C(CCCN)(H)3	N(CC3)(NHH)(H)2	C(NHHN)(CH3)3	C(CCCN)(H)3	N(CC3)(NHH)(H)2	107.1540	2.071	3	107.1540	4.291	3	107.1540	4.291	3	108.1912	5.360	8	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:1:1:1:	4:4:1:1:	C-4:N-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(NCHH)(CH3)2	C(CCCN)(H)3	N(CCHH)(CC3)(H)2	C(CCHH)(NCHH)(CH3)2	C(CCCN)(H)3	N(CCHH)(CC3)(H)2	107.5662	2.404	46	107.5662	5.781	46	107.4046	5.955	58	107.7738	5.665	176	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:1:1:1:	4:4:1:1:	C-4:N-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(NCHH)(CH3)2	C(CCCN)(H)3	N(CC[6a]HH)(CC3)(H)2	C(CCHH)(NCHH)(CH3)2	C(CCCN)(H)3	N(CC[6a]HH)(CC3)(H)2	107.0450	2.260	2	107.0450	5.107	2	107.4046	5.955	58	107.7738	5.665	176	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:1:1:1:	4:4:1:1:	C-4:N-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(NCHH)(CH3)2	C(CCCN)(H)3	N(CCHH)(CC3)(H)2	C(CC[5]HH)(NCHH)(CH3)2	C(CCCN)(H)3	N(CCHH)(CC3)(H)2	105.8440	2.431	4	105.8440	5.911	4	107.4046	5.955	58	107.7738	5.665	176	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:1:1:1:	4:4:1:1:	C-4:N-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(NCHH)(CH3)2	C(CCCN)(H)3	N(CC3)2(H)2	C(CC[6a]HH)(NCHH)(CH3)2	C(CCCN)(H)3	N(CC3)2(H)2	107.4695	5.129	2	107.4695	26.303	2	107.4046	5.955	58	107.7738	5.665	176	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:1:1:1:	4:4:1:1:	C-4:N-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(NCHH)(CH3)2	C(CCCN)(H)3	N(CCHH)(CC3)(H)2	C(CC[6a]HH)(NCHH)(CH3)2	C(CCCN)(H)3	N(CCHH)(CC3)(H)2	107.2530	2.507	4	107.2530	6.285	4	107.4046	5.955	58	107.7738	5.665	176	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:1:1:1:	4:4:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	B-4:C-4:H-1:H-1:	C(NBHH)(CH3)3	C(CCCN)(H)3	N(BC[6a]3)(CC3)(H)2	C(NBHH)(CH3)3	C(CCCN)(H)3	N(BC[6a]3)(CC3)(H)2	108.7460	3.398	6	108.7460	11.547	6	108.7460	11.547	6	107.7738	5.665	176	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:1:1:1:	4:4:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C(NCHH)(CH3)3	C(CCCN)(H)3	N(CC3)2(H)2	C(NCHH)(CH3)3	C(CCCN)(H)3	N(CC3)2(H)2	108.7235	3.990	17	108.7235	15.920	17	107.9320	5.646	101	107.7738	5.665	176	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:1:1:1:	4:4:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C(NCHH)(CH3)3	C(CCCN)(H)3	N(CCCH)(CC3)(H)2	C(NCHH)(CH3)3	C(CCCN)(H)3	N(CCCH)(CC3)(H)2	109.1230	3.191	6	109.1230	10.185	6	107.9320	5.646	101	107.7738	5.665	176	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:1:1:1:	4:4:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C(NCHH)(CH3)3	C(CCCN)(H)3	N(CCHH)(CC3)(H)2	C(NCHH)(CH3)3	C(CCCN)(H)3	N(CCHH)(CC3)(H)2	107.7118	1.659	51	107.7118	2.752	51	107.9320	5.646	101	107.7738	5.665	176	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:1:1:1:	4:4:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C(NCHH)(CH3)3	C(CCCN)(H)3	N(CC[5a]HH)(CC3)(H)2	C(NCHH)(CH3)3	C(CCCN)(H)3	N(CC[5a]HH)(CC3)(H)2	107.8210	1.989	6	107.8210	3.957	6	107.9320	5.646	101	107.7738	5.665	176	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:1:1:1:	4:4:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C(NCHH)(CH3)3	C(CCCN)(H)3	N(CC[6a]HH)(CC3)(H)2	C(NCHH)(CH3)3	C(CCCN)(H)3	N(CC[6a]HH)(CC3)(H)2	107.4983	1.953	18	107.4983	3.816	18	107.9320	5.646	101	107.7738	5.665	176	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:1:1:1:	4:4:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C(NCHH)(CH3)3	C(CCCN)(H)3	N(CCoCH)(CC3)(H)2	C(NCHH)(CH3)3	C(CCCN)(H)3	N(CCoCH)(CC3)(H)2	107.6333	2.388	3	107.6333	5.704	3	107.9320	5.646	101	107.7738	5.665	176	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:1:1:1:	4:4:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C(NC[6]HH)(CH3)3	C(CCCN)(H)3	N(C[6]B[5x3,5x5,21x6]C[6]H)(CC3)(H)2	C(NC[6]HH)(CH3)3	C(CCCN)(H)3	N(C[6]B[5x3,5x5,21x6]C[6]H)(CC3)(H)2	107.4887	1.474	3	107.4887	2.173	3	107.4887	2.173	3	107.7738	5.665	176	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:1:1:1:	4:4:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Ga-4:C-4:H-1:H-1:	C(NGaHH)(CH3)3	C(CCCN)(H)3	N(GaHHN)(CC3)(H)2	C(NGaHH)(CH3)3	C(CCCN)(H)3	N(GaHHN)(CC3)(H)2	108.0270	0.400	6	108.0270	0.160	6	108.0270	0.160	6	107.7738	5.665	176	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:1:1:1:	4:4:1:1:	N-4:C-4:C-4:P-4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C(NCHH)(CH3)2(PO3)	C(CCNP)(H)3	N(CC[6a]CH)(CCCP)(H)2	C(NCHH)(CH3)2(PO3)	C(CCNP)(H)3	N(CC[6a]CH)(CCCP)(H)2	107.2420	2.671	2	107.2420	7.137	2	107.2420	7.137	2	107.7738	5.665	176	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:1:1:1:	4:4:4:1:	C-4:N-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCHH)(NCCH)(CH3)2	C(CCCN)(H)3	N(CCHH)2(CC3)(H)	C(CCHH)(NCCH)(CH3)2	C(CCCN)(H)3	N(CCHH)2(CC3)(H)	107.7015	1.375	2	107.7015	1.892	2	107.7015	1.892	2	108.8631	1.617	17	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:1:1:1:	4:4:4:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	B-4:B-4:C-4:H-1:	C(NBBH)(CH3)3	C(CCCN)(H)3	N(BC[5]HH)(BH3)(CC3)(H)	C(NBBH)(CH3)3	C(CCCN)(H)3	N(BC[5]HH)(BH3)(CC3)(H)	109.4860	0.321	3	109.4860	0.103	3	109.6063	1.326	6	108.8631	1.617	17	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:1:1:1:	4:4:4:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	B-4:B-4:C-4:H-1:	C(NBBH)(CH3)3	C(CCCN)(H)3	N(BN[6]HH)(BH3)(CC3)(H)	C(NBBH)(CH3)3	C(CCCN)(H)3	N(BN[6]HH)(BH3)(CC3)(H)	109.7267	1.780	3	109.7267	3.168	3	109.6063	1.326	6	108.8631	1.617	17	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:1:1:1:	4:4:4:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:B-4:C-4:H-1:	C(NBCH)(CH3)3	C(CCCN)(H)3	N(CCHH)(BH3)(CC3)(H)	C(NBCH)(CH3)3	C(CCCN)(H)3	N(CCHH)(BH3)(CC3)(H)	108.8707	1.045	3	108.8707	1.093	3	108.8707	1.093	3	108.8631	1.617	17	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:1:1:1:	4:4:4:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C(NCCH)(CH3)3	C(CCCN)(H)3	N(CCHH)2(CC3)(H)	C(NCCH)(CH3)3	C(CCCN)(H)3	N(CCHH)2(CC3)(H)	108.6770	1.071	3	108.6770	1.147	3	108.5033	1.677	6	108.8631	1.617	17	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:1:1:1:	4:4:4:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C(NCCH)(CH3)3	C(CCCN)(H)3	N(CHHP)2(CC3)(H)	C(NCCH)(CH3)3	C(CCCN)(H)3	N(CHHP)2(CC3)(H)	108.3297	1.719	3	108.3297	2.954	3	108.5033	1.677	6	108.8631	1.617	17	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:1:1:1:	5:4:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[3x3,3x5,12x6]-5:C-4:H-1:H-1:	C(NC[3x3,3x5,12x6]HH)(CH3)3	C(CCCN)(H)3	N(C[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,4x5,13x6])(CC3)(H)2	C(NC[3x3,3x5,12x6]HH)(CH3)3	C(CCCN)(H)3	N(C[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,4x5,13x6])(CC3)(H)2	107.1550	3.030	3	107.1550	9.181	3	107.1550	9.181	3	107.1550	9.181	3	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:1:1:1:	5:4:4:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[3x3,3x5,12x6]-5:C-4:C-4:H-1:	C(NC[3x3,3x5,12x6]CH)(CH3)3	C(CCCN)(H)3	N(C[3x3,3x5,12x6]B[4x3,3x5,12x6]2B[5x3,3x5,11x6]2)(CC3)(CH3)(H)	C(NC[3x3,3x5,12x6]CH)(CH3)3	C(CCCN)(H)3	N(C[3x3,3x5,12x6]B[4x3,3x5,12x6]2B[5x3,3x5,11x6]2)(CC3)(CH3)(H)	108.8370	2.472	3	108.8370	6.112	3	108.8370	6.112	3	108.8370	6.112	3	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:1:1:1:	6:4:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[3x3,3x5,12x6]-6:C-4:H-1:H-1:	C(NC[3x3,3x5,12x6]HH)(CH3)3	C(CCCN)(H)3	N(C[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Mo)(CC3)(H)2	C(NC[3x3,3x5,12x6]HH)(CH3)3	C(CCCN)(H)3	N(C[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Mo)(CC3)(H)2	107.2313	3.977	3	107.2313	15.819	3	107.2313	15.819	3	107.2313	15.819	3	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:N-4:	C-4:N-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)3(NH3)	C(CCCN)(NN)(H)2	N(CC3)(H)3	C(CHHN)3(NH3)	C(CCCN)(NN)(H)2	N(CC3)(H)3	107.7818	1.865	12	107.7818	3.479	12	107.7818	3.479	12	108.0209	1.614	49	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:N-4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)2(NH3)	C(CCCN)(OC)(H)2	N(CC3)(H)3	C(CHHO)(CH3)2(NH3)	C(CCCN)(OC)(H)2	N(CC3)(H)3	107.5350	0.000	1	107.5350	0.000	1	108.0984	1.064	37	108.0209	1.614	49	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:N-4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)2(NH3)	C(CCCN)(OH)(H)2	N(CC3)(H)3	C(CHHO)(CH3)2(NH3)	C(CCCN)(OH)(H)2	N(CC3)(H)3	107.2427	1.593	7	107.2427	2.539	7	108.0984	1.064	37	108.0209	1.614	49	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:N-4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)3(NH3)	C(CCCN)(OH)(H)2	N(CC3)(H)3	C(CHHO)3(NH3)	C(CCCN)(OH)(H)2	N(CC3)(H)3	108.3244	0.759	29	108.3244	0.576	29	108.0984	1.064	37	108.0209	1.614	49	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:2:1:1:	4:4:1:1:	C-4:C-4:C-4:N-4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CHHO)3(NCHH)	C(CCCN)(OH)(H)2	N(CCHH)(CC3)(H)2	C(CHHO)3(NCHH)	C(CCCN)(OH)(H)2	N(CCHH)(CC3)(H)2	108.9940	2.576	3	108.9940	6.636	3	108.9940	6.636	3	108.9940	6.636	3	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:2:1:1:	4:4:4:1:	C-4:C-4:C-4:N-4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHO)3(NCCH)	C(CCCN)(OH)(H)2	N(CCHH)2(CC3)(H)	C(CHHO)3(NCCH)	C(CCCN)(OH)(H)2	N(CCHH)2(CC3)(H)	109.0340	2.953	3	109.0340	8.717	3	109.0340	8.717	3	109.0340	8.717	3	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:3:1:1:	3:4:1:1:	N-4:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(NC[6a]HH)(CCHH)(CH3)2	C(CCCN)(CCO)(H)2	N(C[6a]C[6a]2)(CC3)(H)2	C(NC[6a]HH)(CCHH)(CH3)2	C(CCCN)(CCO)(H)2	N(C[6a]C[6a]2)(CC3)(H)2	105.1050	2.847	2	105.1050	8.104	2	105.1050	8.104	2	105.1050	8.104	2	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:N-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(NH3)	C(CCCN)(CCO)(H)2	N(CC3)(H)3	C(CCHH)(CH3)2(NH3)	C(CCCN)(CCO)(H)2	N(CC3)(H)3	108.3950	0.000	1	108.3950	0.000	1	108.3950	0.000	1	106.9886	1.808	5	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:N-4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CHHN)2(NH3)	C(CCCN)(NCH)(H)2	N(CC3)(H)3	C(CCHH)(CHHN)2(NH3)	C(CCCN)(NCH)(H)2	N(CC3)(H)3	105.5910	0.011	2	105.5910	0.000	2	105.5910	0.000	2	106.9886	1.808	5	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:N-4:	C-4:O-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)3(NH3)	C(CCCN)(OMo2)(H)2	N(CC3)(H)3	C(CHHO)3(NH3)	C(CCCN)(OMo2)(H)2	N(CC3)(H)3	107.6830	0.618	2	107.6830	0.382	2	107.6830	0.382	2	106.9886	1.808	5	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:3:1:1:	4:3:1:1:	C-4:N-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(NHHN)(CH3)2	C(CCCN)(CCO)(H)2	N(CC3)(NCH)(H)2	C(CCHH)(NHHN)(CH3)2	C(CCCN)(CCO)(H)2	N(CC3)(NCH)(H)2	105.6720	0.000	1	105.6720	0.000	1	105.6720	0.000	1	105.6720	0.000	1	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:3:1:1:	4:4:1:1:	C-4:C-4:C-4:N-4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CHHN)3(NCHH)	C(CCCN)(NCoC)(H)2	N(CCHH)(CC3)(H)2	C(CHHN)3(NCHH)	C(CCCN)(NCoC)(H)2	N(CCHH)(CC3)(H)2	107.2917	1.466	4	107.2917	2.148	4	107.2917	2.148	4	108.9527	3.055	12	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:3:1:1:	4:4:1:1:	C-4:N-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(NCHH)(CH3)2	C(CCCN)(CCN)(H)2	N(CCHH)(CC3)(H)2	C(CCHH)(NCHH)(CH3)2	C(CCCN)(CCN)(H)2	N(CCHH)(CC3)(H)2	109.6287	1.243	7	109.6287	1.545	7	109.7832	1.515	8	108.9527	3.055	12	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:3:1:1:	4:4:1:1:	C-4:N-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(NCHH)(CH3)2	C(CCCN)(CCO)(H)2	N(CC[6a]HH)(CC3)(H)2	C(CCHH)(NCHH)(CH3)2	C(CCCN)(CCO)(H)2	N(CC[6a]HH)(CC3)(H)2	110.8650	0.000	1	110.8650	0.000	1	109.7832	1.515	8	108.9527	3.055	12	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:N-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CCHH)2(NH3)	C(CCCN)(CCHH)(H)2	N(CC3)(H)3	C(CCCH)(CCHH)2(NH3)	C(CCCN)(CCHH)(H)2	N(CC3)(H)3	104.6700	0.000	1	104.6700	0.000	1	106.4826	8.131	14	106.8485	6.601	36	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:N-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CCHH)2(NH3)	C(CCCN)(CH3)(H)2	N(CC3)(H)3	C(CCCH)(CCHH)2(NH3)	C(CCCN)(CH3)(H)2	N(CC3)(H)3	108.7220	0.000	1	108.7220	0.000	1	106.4826	8.131	14	106.8485	6.601	36	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:N-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(NH3)	C(CCCN)(CC3)(H)2	N(CC3)(H)3	C(CCHH)(CH3)2(NH3)	C(CCCN)(CC3)(H)2	N(CC3)(H)3	104.0206	0.726	5	104.0206	0.528	5	106.4826	8.131	14	106.8485	6.601	36	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:N-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(NH3)	C(CCCN)(CH3)(H)2	N(CC3)(H)3	C(CCHH)(CH3)2(NH3)	C(CCCN)(CH3)(H)2	N(CC3)(H)3	108.0884	3.313	5	108.0884	10.976	5	106.4826	8.131	14	106.8485	6.601	36	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:N-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CHHN)2(NH3)	C(CCCN)(CH3)(H)2	N(CC3)(H)3	C(CCHH)(CHHN)2(NH3)	C(CCCN)(CH3)(H)2	N(CC3)(H)3	108.4100	0.870	2	108.4100	0.756	2	106.4826	8.131	14	106.8485	6.601	36	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:N-4:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CHHN)2(NH3)	C(CCCN)(NCHH)(H)2	N(CC3)(H)3	C(CCHH)(CHHN)2(NH3)	C(CCCN)(NCHH)(H)2	N(CC3)(H)3	104.2495	0.518	2	104.2495	0.269	2	105.3757	4.772	6	106.8485	6.601	36	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:N-4:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)2(CH3)(NH3)	C(CCCN)(NCHH)(H)2	N(CC3)(H)3	C(CHHN)2(CH3)(NH3)	C(CCCN)(NCHH)(H)2	N(CC3)(H)3	105.9387	2.568	4	105.9387	6.595	4	105.3757	4.772	6	106.8485	6.601	36	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:N-4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)2(CH3)(NH3)	C(NCoCH)(CCCN)(H)2	N(CC3)(H)3	C(CHHN)2(CH3)(NH3)	C(NCoCH)(CCCN)(H)2	N(CC3)(H)3	107.7770	2.698	4	107.7770	7.281	4	106.5731	4.816	8	106.8485	6.601	36	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:N-4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)2(CH3)(NH3)	C(NNiCH)(CCCN)(H)2	N(CC3)(H)3	C(CHHN)2(CH3)(NH3)	C(NNiCH)(CCCN)(H)2	N(CC3)(H)3	105.3692	0.301	4	105.3692	0.091	4	106.5731	4.816	8	106.8485	6.601	36	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:N-4:	O-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)3(NH3)	C(OCrMo2)(CCCN)(H)2	N(CC3)(H)3	C(CHHO)3(NH3)	C(OCrMo2)(CCCN)(H)2	N(CC3)(H)3	109.6215	2.654	2	109.6215	7.043	2	109.6215	7.043	2	106.8485	6.601	36	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:N-4:P-4:P-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NH3)(PO3)2	C(CCHH)(CNPP)(H)2	N(CCPP)(H)3	C(CCHH)(NH3)(PO3)2	C(CCHH)(CNPP)(H)2	N(CCPP)(H)3	109.7520	0.052	2	109.7520	0.003	2	108.6177	2.214	6	106.8485	6.601	36	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:N-4:P-4:P-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NH3)(PO3)2	C(CHHP)(CNPP)(H)2	N(CCPP)(H)3	C(CCHH)(NH3)(PO3)2	C(CHHP)(CNPP)(H)2	N(CCPP)(H)3	106.8510	0.000	1	106.8510	0.000	1	108.6177	2.214	6	106.8485	6.601	36	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:N-4:P-4:P-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NH3)(PO3)2	C(CNPP)(CH3)(H)2	N(CCPP)(H)3	C(CCHH)(NH3)(PO3)2	C(CNPP)(CH3)(H)2	N(CCPP)(H)3	108.4503	1.626	3	108.4503	2.643	3	108.6177	2.214	6	106.8485	6.601	36	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:N-4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(CHHN)(NCHH)	C(CCCN)(CHHO)(H)2	N(CC3)(CH3)(H)2	C(CCHH)(CCHO)(CHHN)(NCHH)	C(CCCN)(CHHO)(H)2	N(CC3)(CH3)(H)2	105.8070	0.000	1	105.8070	0.000	1	105.8070	0.000	1	108.1267	12.368	31	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:N-4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(CHHN)(NCHH)	C(CCCN)(NH3)(H)2	N(CC3)(CH3)(H)2	C(CCHH)(CCHO)(CHHN)(NCHH)	C(CCCN)(NH3)(H)2	N(CC3)(CH3)(H)2	104.3860	0.000	1	104.3860	0.000	1	104.3860	0.000	1	108.1267	12.368	31	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:N-4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CHHN)3(NCHH)	C(NCoCH)(CCCN)(H)2	N(CCHH)(CC3)(H)2	C(CHHN)3(NCHH)	C(NCoCH)(CCCN)(H)2	N(CCHH)(CC3)(H)2	107.4920	1.583	8	107.4920	2.507	8	107.2035	2.542	11	108.1267	12.368	31	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:N-4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CHHN)3(NCHH)	C(NCoCH)(CCCN)(H)2	N(CC[5a]HH)(CC3)(H)2	C(CHHN)3(NCHH)	C(NCoCH)(CCCN)(H)2	N(CC[5a]HH)(CC3)(H)2	106.4343	1.647	3	106.4343	2.713	3	107.2035	2.542	11	108.1267	12.368	31	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:N-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(NCHH)(CH3)2	C(CCCN)(CCHN)(H)2	N(CCHH)(CC3)(H)2	C(CCHH)(NCHH)(CH3)2	C(CCCN)(CCHN)(H)2	N(CCHH)(CC3)(H)2	109.2590	4.431	16	109.2590	19.632	16	109.2590	19.632	16	108.1267	12.368	31	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:N-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(NCHH)(CH3)2	C(C[5]C[5]2H)(CCCN)(H)2	N(CCHH)(CC3)(H)2	C(CC[5]HH)(NCHH)(CH3)2	C(C[5]C[5]2H)(CCCN)(H)2	N(CCHH)(CC3)(H)2	107.1765	0.261	2	107.1765	0.068	2	107.1765	0.068	2	108.1267	12.368	31	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:4:1:1:	4:4:4:1:	C-4:N-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCHH)(NCCH)(CH3)2	C(CCCN)(CCHN)(H)2	N(CCHH)2(CC3)(H)	C(CCHH)(NCCH)(CH3)2	C(CCCN)(CCHN)(H)2	N(CCHH)2(CC3)(H)	106.0090	0.000	1	106.0090	0.000	1	106.0090	0.000	1	106.0090	0.000	1	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:4:2:1:	4:4:1:1:	C-4:C-4:C-4:N-4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(CHHN)(NCHH)	C(CCCN)(CHHO)(OH)(H)	N(CC3)(CH3)(H)2	C(CCHH)(CCHO)(CHHN)(NCHH)	C(CCCN)(CHHO)(OH)(H)	N(CC3)(CH3)(H)2	106.7990	0.000	1	106.7990	0.000	1	106.7990	0.000	1	106.7990	0.000	1	113.3992	11.022	17143	113.3992	11.022	17143
490	490	892	0:SP3_SP3_SP3	C	C	N	4:4:4:4:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:N-4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CCHH)2(NH3)	C(CCCN)(CH3)(CNO)(H)	N(CC3)(H)3	C(CCCH)(CCHH)2(NH3)	C(CCCN)(CH3)(CNO)(H)	N(CC3)(H)3	108.9170	0.000	1	108.9170	0.000	1	108.9170	0.000	1	108.9170	0.000	1	113.3992	11.022	17143	113.3992	11.022	17143